diff --git a/src/refinegems/data/database/data.db b/src/refinegems/data/database/data.db index 633424bc..7dcae0b7 100644 Binary files a/src/refinegems/data/database/data.db and b/src/refinegems/data/database/data.db differ diff --git a/src/refinegems/data/database/media_db.sql b/src/refinegems/data/database/media_db.sql index 07702c36..0fd61baa 100644 --- a/src/refinegems/data/database/media_db.sql +++ b/src/refinegems/data/database/media_db.sql @@ -753,7 +753,7 @@ INSERT INTO "subset2substance" VALUES(4,328,1); INSERT INTO "subset2substance" VALUES(4,331,1); INSERT INTO "subset2substance" VALUES(4,330,1); INSERT INTO "subset2substance" VALUES(4,332,1); -INSERT INTO "subset2substance" VALUES(4,333,1); +INSERT INTO "subset2substance" VALUES(4,51,1); INSERT INTO "subset2substance" VALUES(4,334,1); INSERT INTO "subset2substance" VALUES(4,102,1); INSERT INTO "subset2substance" VALUES(4,17,1); @@ -1096,7 +1096,6 @@ INSERT INTO "substance" VALUES(329,'Menaquinol-8','C51H74O2'); INSERT INTO "substance" VALUES(330,'2-Demethylmenaquinol-8','C50H72O2'); INSERT INTO "substance" VALUES(331,'2-Demethylmenaquinone-8','C50H70O2'); INSERT INTO "substance" VALUES(332,'Acetyl-CoA','C23H38N7O17P3S'); -INSERT INTO "substance" VALUES(333,'Acetate','C2H3O2'); INSERT INTO "substance" VALUES(334,'Coenzyme A','C21H36N7O16P3S'); @@ -1172,7 +1171,7 @@ INSERT INTO "substance2db" VALUES(47,'MNXM162711','MetaNetX'); INSERT INTO "substance2db" VALUES(48,'adp','BiGG'); INSERT INTO "substance2db" VALUES(49,'atp','BiGG'); INSERT INTO "substance2db" VALUES(50,'acald','BiGG'); -INSERT INTO "substance2db" VALUES(51,'ac','BiGG'); +INSERT INTO "substance2db" VALUES(51,'ac','BiGG+VMH'); INSERT INTO "substance2db" VALUES(52,'acac','BiGG'); INSERT INTO "substance2db" VALUES(53,'acetone','BiGG'); INSERT INTO "substance2db" VALUES(54,'ade','BiGG'); @@ -1725,3 +1724,70 @@ INSERT INTO "substance2db" VALUES(317,'MNXM1094127','MetaNetX'); INSERT INTO "substance2db" VALUES(317,'MNXM1107906','MetaNetX'); INSERT INTO "substance2db" VALUES(317,'MNXM1107908','MetaNetX'); INSERT INTO "substance2db" VALUES(317,'cpd00532','SEED'); +INSERT INTO "substance2db" VALUES(318,'cpd00052','SEED'); +INSERT INTO "substance2db" VALUES(319,'cpd00062','SEED'); +INSERT INTO "substance2db" VALUES(320,'cpd00068','SEED'); +INSERT INTO "substance2db" VALUES(321,'cpd00090','SEED'); +INSERT INTO "substance2db" VALUES(322,'cpd00004','SEED'); +INSERT INTO "substance2db" VALUES(323,'cpd00005','SEED'); +INSERT INTO "substance2db" VALUES(324,'cpd00982','SEED'); +INSERT INTO "substance2db" VALUES(325,'cpd01270','SEED'); +INSERT INTO "substance2db" VALUES(326,'cpd15561','SEED'); +INSERT INTO "substance2db" VALUES(327,'cpd15560','SEED'); +INSERT INTO "substance2db" VALUES(328,'cpd15499','SEED'); +INSERT INTO "substance2db" VALUES(329,'cpd15500','SEED'); +INSERT INTO "substance2db" VALUES(330,'cpd15353','SEED'); +INSERT INTO "substance2db" VALUES(331,'cpd15352','SEED'); +INSERT INTO "substance2db" VALUES(332,'cpd00022','SEED'); +INSERT INTO "substance2db" VALUES(51,'cpd00029','SEED'); +INSERT INTO "substance2db" VALUES(334,'cpd00010','SEED'); +INSERT INTO "substance2db" VALUES(318,'MNXM1103718','MetaNetX'); +INSERT INTO "substance2db" VALUES(319,'MNXM1101474','MetaNetX'); +INSERT INTO "substance2db" VALUES(320,'MNXM1103428','MetaNetX'); +INSERT INTO "substance2db" VALUES(321,'MNXM1104559','MetaNetX'); +INSERT INTO "substance2db" VALUES(322,'MNXM10','MetaNetX'); +INSERT INTO "substance2db" VALUES(323,'MNXM738702','MetaNetX'); +INSERT INTO "substance2db" VALUES(324,'MNXM1105762','MetaNetX'); +INSERT INTO "substance2db" VALUES(325,'MNXM1107623','MetaNetX'); +INSERT INTO "substance2db" VALUES(326,'MNXM191','MetaNetX'); +INSERT INTO "substance2db" VALUES(327,'MNXM232','MetaNetX'); +INSERT INTO "substance2db" VALUES(328,'MNXM223','MetaNetX'); +INSERT INTO "substance2db" VALUES(329,'MNXM509','MetaNetX'); +INSERT INTO "substance2db" VALUES(330,'MNXM558','MetaNetX'); +INSERT INTO "substance2db" VALUES(331,'MNXM2178','MetaNetX'); +INSERT INTO "substance2db" VALUES(332,'MNXM1104266','MetaNetX'); +INSERT INTO "substance2db" VALUES(51,'MNXM26','MetaNetX'); +INSERT INTO "substance2db" VALUES(334,'MNXM727276','MetaNetX'); +INSERT INTO "substance2db" VALUES(318,'C00063','KEGG'); +INSERT INTO "substance2db" VALUES(319,'C00075','KEGG'); +INSERT INTO "substance2db" VALUES(320,'C00081','KEGG'); +INSERT INTO "substance2db" VALUES(321,'C00104','KEGG'); +INSERT INTO "substance2db" VALUES(322,'C00004','KEGG'); +INSERT INTO "substance2db" VALUES(323,'C00005','KEGG'); +INSERT INTO "substance2db" VALUES(324,'C01352','KEGG'); +INSERT INTO "substance2db" VALUES(325,'C01847','KEGG'); +INSERT INTO "substance2db" VALUES(326,'C00390','KEGG'); +INSERT INTO "substance2db" VALUES(327,'C17569','KEGG'); +INSERT INTO "substance2db" VALUES(328,'C05819','KEGG'); +INSERT INTO "substance2db" VALUES(329,'C00828','KEGG'); +INSERT INTO "substance2db" VALUES(330,'C19847','KEGG'); +INSERT INTO "substance2db" VALUES(331,'C05818','KEGG'); +INSERT INTO "substance2db" VALUES(332,'C00024','KEGG'); +INSERT INTO "substance2db" VALUES(51,'C00033','KEGG'); +INSERT INTO "substance2db" VALUES(334,'C00010','KEGG'); +INSERT INTO "substance2db" VALUES(318,'ctp','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(319,'utp','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(320,'itp','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(321,'idp','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(322,'nadh','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(323,'nadph','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(324,'fadh2','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(325,'fmnh2','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(326,'q8h2','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(327,'q8','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(328,'mql8','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(329,'mqn8','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(330,'2dmmql8','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(331,'2dmmq8','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(332,'accoa','BiGG+VMH'); +INSERT INTO "substance2db" VALUES(334,'coa','BiGG+VMH'); diff --git a/src/refinegems/data/database/updated_media_db.sql b/src/refinegems/data/database/updated_media_db.sql deleted file mode 100644 index 6744d797..00000000 --- a/src/refinegems/data/database/updated_media_db.sql +++ /dev/null @@ -1,1726 +0,0 @@ -CREATE TABLE IF NOT EXISTS medium ( - id INTEGER PRIMARY KEY, - name TEXT NOT NULL UNIQUE, - description NTEXT, - reference NTEXT -); -INSERT INTO "medium" VALUES(1,'Blood','Blood medium','https://doi.org/10.1371/journal.pcbi.1010903'); -INSERT INTO "medium" VALUES(2,'CasA','Casamino Acids medium','https://doi.org/10.1080/00275514.1971.12019223'); -INSERT INTO "medium" VALUES(3,'CGXII','Corynebacterium glutamicum optimized growth medium','https://doi.org/10.1002/bit.25103'); -INSERT INTO "medium" VALUES(4,'dGMM','Defined Gut Microbiota Medium','https://doi.org/10.1038/s41564-018-0123-9'); -INSERT INTO "medium" VALUES(5,'LB','Lysogeny broth','https://doi.org/10.1093/nar/gky537, https://doi.org/10.1074/jbc.M703759200'); -INSERT INTO "medium" VALUES(6,'M9','M9 minimal medium','https://www.sigmaaldrich.com/DE/de/product/sigma/m6030, https://doi.org/10.3389/fbinf.2023.1214074'); -INSERT INTO "medium" VALUES(7,'MP-AU','Multi-Purpose Artificial Urine','https://doi.org/10.1038/s41598-019-56693-4, https://doi.org/10.1016/j.bios.2022.114962'); -INSERT INTO "medium" VALUES(8,'RPMI','Roswell Park Memorial Institute 1640 Medium','https://www.thermofisher.com/de/de/home/technical-resources/media-formulation.114.html (visited on 2023-03-22)'); -INSERT INTO "medium" VALUES(9,'SNM3','Synthetic Nasal Medium Version 3','https://doi.org/10.1371/journal.ppat.1003862'); -INSERT INTO "medium" VALUES(10,'artSw','Artificial Sweat','https://doi.org/10.1128/spectrum.04180-22, Table 1'); -INSERT INTO "medium" VALUES(11,'BMS23','Basal Medium as described in Swaney et al. 2023','https://doi.org/10.1128/spectrum.04180-22, Material & Methods; M9 components from: https://www.sigmaaldrich.com/DE/de/product/sigma/m6030'); - - -CREATE TABLE IF NOT EXISTS "medium2substance" ( - medium_id INTEGER, - substance_id INTEGER, - flux NUMERIC DEFAULT NULL, - source NTEXT, - FOREIGN KEY(medium_id) REFERENCES medium(id), - FOREIGN KEY(substance_id) REFERENCES substance(id), - PRIMARY KEY(medium_id, substance_id) -); -INSERT INTO "medium2substance" VALUES(5,102,NULL,'Carbohydrates (Glucose)'); -INSERT INTO "medium2substance" VALUES(5,164,NULL,'Alanine'); -INSERT INTO "medium2substance" VALUES(5,169,NULL,'Aspartic acid'); -INSERT INTO "medium2substance" VALUES(5,175,NULL,'Glutamic acid'); -INSERT INTO "medium2substance" VALUES(5,178,NULL,'Histidine'); -INSERT INTO "medium2substance" VALUES(5,182,NULL,'Leucine'); -INSERT INTO "medium2substance" VALUES(5,186,NULL,'Methionine'); -INSERT INTO "medium2substance" VALUES(5,189,NULL,'Proline'); -INSERT INTO "medium2substance" VALUES(5,192,NULL,'Threonine'); -INSERT INTO "medium2substance" VALUES(5,195,NULL,'Tyrosine'); -INSERT INTO "medium2substance" VALUES(5,166,NULL,'Arginine'); -INSERT INTO "medium2substance" VALUES(5,162,NULL,'Cystine'); -INSERT INTO "medium2substance" VALUES(5,138,NULL,'Glycine'); -INSERT INTO "medium2substance" VALUES(5,180,NULL,'Isoleucine'); -INSERT INTO "medium2substance" VALUES(5,183,NULL,'Lysine'); -INSERT INTO "medium2substance" VALUES(5,188,NULL,'Phenylalanine'); -INSERT INTO "medium2substance" VALUES(5,190,NULL,'Serine'); -INSERT INTO "medium2substance" VALUES(5,194,NULL,'Tryptophan'); -INSERT INTO "medium2substance" VALUES(5,196,NULL,'Valine'); -INSERT INTO "medium2substance" VALUES(5,270,NULL,'Thiamine (Vitamin B1)'); -INSERT INTO "medium2substance" VALUES(5,246,NULL,'Riboflavin (Vitamin B2)'); -INSERT INTO "medium2substance" VALUES(5,25,NULL,'Calcium pantothenate (Vitamin B5)'); -INSERT INTO "medium2substance" VALUES(5,26,NULL,'Pyridoxine (Vitamin B6)'); -INSERT INTO "medium2substance" VALUES(5,66,NULL,'Biotin (Vitamin B8)'); -INSERT INTO "medium2substance" VALUES(5,211,NULL,'Folic acid (Vitamin B9)'); -INSERT INTO "medium2substance" VALUES(5,87,NULL,'Cyanocobalamin (Vitamin B12)'); -INSERT INTO "medium2substance" VALUES(5,88,NULL,'Cyanocobalamin (Vitamin B12)'); -INSERT INTO "medium2substance" VALUES(5,285,NULL,'Cyanocobalamin (Vitamin B12)'); -INSERT INTO "medium2substance" VALUES(5,240,NULL,'Niacin (Vitamin PP)'); -INSERT INTO "medium2substance" VALUES(5,251,NULL,'Sodium, Selenium'); -INSERT INTO "medium2substance" VALUES(5,81,NULL,'Chloride'); -INSERT INTO "medium2substance" VALUES(5,258,NULL,'Sulfate'); -INSERT INTO "medium2substance" VALUES(5,235,NULL,'Potassium'); -INSERT INTO "medium2substance" VALUES(5,232,NULL,'Phosphorus (phosphate)'); -INSERT INTO "medium2substance" VALUES(5,75,NULL,'Calcium pantothenate (Vitamin B5), Calcium'); -INSERT INTO "medium2substance" VALUES(5,201,NULL,'Magnesium'); -INSERT INTO "medium2substance" VALUES(5,289,NULL,'Zinc'); -INSERT INTO "medium2substance" VALUES(5,62,NULL,'Arsenic'); -INSERT INTO "medium2substance" VALUES(5,72,NULL,'Cadmium'); -INSERT INTO "medium2substance" VALUES(5,207,NULL,'Mercury'); -INSERT INTO "medium2substance" VALUES(5,198,NULL,'Lead'); -INSERT INTO "medium2substance" VALUES(5,155,NULL,'Inosine'); -INSERT INTO "medium2substance" VALUES(5,153,NULL,'Hypoxanthine'); -INSERT INTO "medium2substance" VALUES(5,117,NULL,'Deoxycytidine'); -INSERT INTO "medium2substance" VALUES(5,274,NULL,'Thymidine'); -INSERT INTO "medium2substance" VALUES(5,279,NULL,'Uracil'); -INSERT INTO "medium2substance" VALUES(5,282,NULL,'Uridine'); -INSERT INTO "medium2substance" VALUES(5,115,NULL,'Deoxyadenosine'); -INSERT INTO "medium2substance" VALUES(5,55,NULL,'Adenosine'); -INSERT INTO "medium2substance" VALUES(5,84,NULL,'Chorismate'); -INSERT INTO "medium2substance" VALUES(5,120,NULL,'O2 (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,150,NULL,'H+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,286,NULL,'H2O (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,37,NULL,'AMP (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,71,NULL,'CMP (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,85,NULL,'Chromate (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,173,NULL,'L-Cysteine (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,89,NULL,'Co2+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,90,NULL,'Cu2+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,156,NULL,'Fe2+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,157,NULL,'Fe3+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,39,NULL,'GMP (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,144,NULL,'Guanosine (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,152,NULL,'Hydrogen sulfide (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,36,NULL,'Lipoate (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,204,NULL,'Mn2+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,269,NULL,'Molybdate (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,56,NULL,'Ammonium (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,214,NULL,'Ni2+ (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,238,NULL,'Protoheme (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,30,NULL,'Pyridoxal (CarveMe)'); -INSERT INTO "medium2substance" VALUES(5,44,NULL,'UMP (CarveMe)'); -INSERT INTO "medium2substance" VALUES(6,75,NULL,'CaCl2*2H2O'); -INSERT INTO "medium2substance" VALUES(6,81,NULL,'NaCl, NH4Cl, CaCl2*2H2O'); -INSERT INTO "medium2substance" VALUES(6,102,NULL,'Glucose'); -INSERT INTO "medium2substance" VALUES(6,286,NULL,'MgSO4*7H2O, CaCl2*2H2O'); -INSERT INTO "medium2substance" VALUES(6,150,NULL,'KH2PO4, Na2HPO4'); -INSERT INTO "medium2substance" VALUES(6,235,NULL,'KH2PO4'); -INSERT INTO "medium2substance" VALUES(6,201,NULL,'MgSO4*7H2O'); -INSERT INTO "medium2substance" VALUES(6,251,NULL,'NaCl, Na2HPO4'); -INSERT INTO "medium2substance" VALUES(6,56,NULL,'NH4Cl'); -INSERT INTO "medium2substance" VALUES(6,120,NULL,'Oxygen'); -INSERT INTO "medium2substance" VALUES(6,232,NULL,'KH2PO4, Na2HPO4'); -INSERT INTO "medium2substance" VALUES(6,258,NULL,'MgSO4*7H2O'); -INSERT INTO "medium2substance" VALUES(9,164,NULL,'Alanine'); -INSERT INTO "medium2substance" VALUES(9,166,NULL,'Arginine'); -INSERT INTO "medium2substance" VALUES(9,173,NULL,'Cysteine'); -INSERT INTO "medium2substance" VALUES(9,175,NULL,'Glutamic acid'); -INSERT INTO "medium2substance" VALUES(9,138,NULL,'Glycine'); -INSERT INTO "medium2substance" VALUES(9,178,NULL,'Histidine'); -INSERT INTO "medium2substance" VALUES(9,182,NULL,'Leucin'); -INSERT INTO "medium2substance" VALUES(9,183,NULL,'Lysine'); -INSERT INTO "medium2substance" VALUES(9,105,NULL,'Ornithine'); -INSERT INTO "medium2substance" VALUES(9,187,NULL,'Ornithine'); -INSERT INTO "medium2substance" VALUES(9,188,NULL,'Phenylalanine'); -INSERT INTO "medium2substance" VALUES(9,189,NULL,'Proline'); -INSERT INTO "medium2substance" VALUES(9,190,NULL,'Serine'); -INSERT INTO "medium2substance" VALUES(9,192,NULL,'Threonine'); -INSERT INTO "medium2substance" VALUES(9,194,NULL,'Tryptophane'); -INSERT INTO "medium2substance" VALUES(9,196,NULL,'Valine'); -INSERT INTO "medium2substance" VALUES(9,16,NULL,'Citric acid'); -INSERT INTO "medium2substance" VALUES(9,4,NULL,'Fumaric acid'); -INSERT INTO "medium2substance" VALUES(9,202,NULL,'Maleic acid'); -INSERT INTO "medium2substance" VALUES(9,242,NULL,'Pyruvic acid'); -INSERT INTO "medium2substance" VALUES(9,256,NULL,'Succinic acid'); -INSERT INTO "medium2substance" VALUES(9,102,NULL,'Glucose'); -INSERT INTO "medium2substance" VALUES(9,281,NULL,'Urea'); -INSERT INTO "medium2substance" VALUES(9,251,NULL,'Sodium, Sodium phosphate buffer (pH7.2), NaCl, MoNa2O4'); -INSERT INTO "medium2substance" VALUES(9,81,NULL,'Chloride, NaCl, KCl, ZnCl2, MnCl2, CoCl2, CuCl2, NiCl2, Pyridoxamine-2HCl, Thiamine-dichoride'); -INSERT INTO "medium2substance" VALUES(9,235,NULL,'Potassium, KCl'); -INSERT INTO "medium2substance" VALUES(9,232,NULL,'Phosphate, Sodium phosphate buffer (pH7.2)'); -INSERT INTO "medium2substance" VALUES(9,201,NULL,'Magnesium, MgSO4'); -INSERT INTO "medium2substance" VALUES(9,258,NULL,'Sulphate'); -INSERT INTO "medium2substance" VALUES(9,13,NULL,'2,2-Bipyridine'); -INSERT INTO "medium2substance" VALUES(9,75,NULL,'Ca-D-Panthothenic acid'); -INSERT INTO "medium2substance" VALUES(9,289,NULL,'ZnCl2'); -INSERT INTO "medium2substance" VALUES(9,204,NULL,'MnCl2'); -INSERT INTO "medium2substance" VALUES(9,89,NULL,'CoCl2'); -INSERT INTO "medium2substance" VALUES(9,90,NULL,'CuCl2'); -INSERT INTO "medium2substance" VALUES(9,214,NULL,'NiCl2'); -INSERT INTO "medium2substance" VALUES(9,269,NULL,'MoNa2O4'); -INSERT INTO "medium2substance" VALUES(9,87,NULL,'Cyanocobalamine'); -INSERT INTO "medium2substance" VALUES(9,88,NULL,'Cyanocobalamine'); -INSERT INTO "medium2substance" VALUES(9,285,NULL,'Cyanocobalamine'); -INSERT INTO "medium2substance" VALUES(9,28,NULL,'p-Aminobenzoic acid'); -INSERT INTO "medium2substance" VALUES(9,66,NULL,'Biotin'); -INSERT INTO "medium2substance" VALUES(9,240,NULL,'Nicotinic acid'); -INSERT INTO "medium2substance" VALUES(9,25,NULL,'Ca-D-Panthothenic acid'); -INSERT INTO "medium2substance" VALUES(9,27,NULL,'Pyridoxamine-2HCl'); -INSERT INTO "medium2substance" VALUES(9,270,NULL,'Thiamine-dichoride'); -INSERT INTO "medium2substance" VALUES(9,150,NULL,'Pyridoxamine-2HCl, Thiamine-dichoride'); -INSERT INTO "medium2substance" VALUES(9,246,NULL,'Riboflavin'); -INSERT INTO "medium2substance" VALUES(9,120,NULL,'Oxygen'); -INSERT INTO "medium2substance" VALUES(9,286,NULL,'Water'); -INSERT INTO "medium2substance" VALUES(9,76,NULL,'Carbon dioxide'); -INSERT INTO "medium2substance" VALUES(8,75,NULL,'D-Calcium pantothenate, Calcium nitrate (Ca(NO3)2 4H2O)'); -INSERT INTO "medium2substance" VALUES(8,217,NULL,'Calcium nitrate (Ca(NO3)2 4H2O)'); -INSERT INTO "medium2substance" VALUES(8,201,NULL,'Magnesium Sulfate (MgSO4) (anhyd.)'); -INSERT INTO "medium2substance" VALUES(8,258,NULL,'Magnesium Sulfate (MgSO4) (anhyd.)'); -INSERT INTO "medium2substance" VALUES(8,81,NULL,'L-Cystine 2HCl, L-Lysine hydrochloride, Choline chloride, Pyridoxine hydrochloride, Thiamine hydrochloride, Potassium Chloride (KCl), Sodium Chloride (NaCl)'); -INSERT INTO "medium2substance" VALUES(8,235,NULL,'Potassium Chloride (KCl)'); -INSERT INTO "medium2substance" VALUES(8,251,NULL,'L-Tyrosine disodium salt dihydrate, Sodium Bicarbonate (NaHCO3), Sodium Chloride (NaCl), Sodium Phosphate dibasic (Na2HPO4) anhydrous'); -INSERT INTO "medium2substance" VALUES(8,232,NULL,'Sodium Phosphate dibasic (Na2HPO4) anhydrous'); -INSERT INTO "medium2substance" VALUES(8,138,NULL,'Glycine'); -INSERT INTO "medium2substance" VALUES(8,166,NULL,'L-Arginine'); -INSERT INTO "medium2substance" VALUES(8,168,NULL,'L-Asparagine'); -INSERT INTO "medium2substance" VALUES(8,169,NULL,'L-Aspartic acid'); -INSERT INTO "medium2substance" VALUES(8,162,NULL,'L-Cystine 2HCl'); -INSERT INTO "medium2substance" VALUES(8,175,NULL,'L-Glutamic Acid'); -INSERT INTO "medium2substance" VALUES(8,176,NULL,'L-Glutamine'); -INSERT INTO "medium2substance" VALUES(8,178,NULL,'L-Histidine'); -INSERT INTO "medium2substance" VALUES(8,180,NULL,'L-Isoleucine'); -INSERT INTO "medium2substance" VALUES(8,182,NULL,'L-Leucine'); -INSERT INTO "medium2substance" VALUES(8,186,NULL,'L-Methionine'); -INSERT INTO "medium2substance" VALUES(8,188,NULL,'L-Phenylalanine'); -INSERT INTO "medium2substance" VALUES(8,189,NULL,'L-Proline'); -INSERT INTO "medium2substance" VALUES(8,190,NULL,'L-Serine'); -INSERT INTO "medium2substance" VALUES(8,192,NULL,'L-Threonine'); -INSERT INTO "medium2substance" VALUES(8,194,NULL,'L-Tryptophan'); -INSERT INTO "medium2substance" VALUES(8,195,NULL,'L-Tyrosine disodium salt dihydrate'); -INSERT INTO "medium2substance" VALUES(8,196,NULL,'L-Valine'); -INSERT INTO "medium2substance" VALUES(8,183,NULL,'L-Lysine hydrochloride'); -INSERT INTO "medium2substance" VALUES(8,66,NULL,'Biotin'); -INSERT INTO "medium2substance" VALUES(8,83,NULL,'Choline chloride'); -INSERT INTO "medium2substance" VALUES(8,213,NULL,'Niacinamide'); -INSERT INTO "medium2substance" VALUES(8,28,NULL,'Para-Aminobenzoic Acid'); -INSERT INTO "medium2substance" VALUES(8,246,NULL,'Riboflavin'); -INSERT INTO "medium2substance" VALUES(8,270,NULL,'Thiamine hydrochloride'); -INSERT INTO "medium2substance" VALUES(8,210,NULL,'i-Inositol'); -INSERT INTO "medium2substance" VALUES(8,25,NULL,'D-Calcium pantothenate'); -INSERT INTO "medium2substance" VALUES(8,211,NULL,'Folic Acid'); -INSERT INTO "medium2substance" VALUES(8,26,NULL,'Pyridoxine hydrochloride'); -INSERT INTO "medium2substance" VALUES(8,87,NULL,'Vitamin B12'); -INSERT INTO "medium2substance" VALUES(8,88,NULL,'Vitamin B12'); -INSERT INTO "medium2substance" VALUES(8,285,NULL,'Vitamin B12'); -INSERT INTO "medium2substance" VALUES(8,102,NULL,'D-Glucose (Dextrose)'); -INSERT INTO "medium2substance" VALUES(8,197,NULL,'Glutathione (reduced)'); -INSERT INTO "medium2substance" VALUES(8,286,NULL,'Calcium nitrate (Ca(NO3)2 4H2O)'); -INSERT INTO "medium2substance" VALUES(8,120,NULL,'Oxygen'); -INSERT INTO "medium2substance" VALUES(8,78,NULL,'Bicarbonate (NaHCO3)'); -INSERT INTO "medium2substance" VALUES(8,303,NULL,'L-Hydroxyproline'); -INSERT INTO "medium2substance" VALUES(8,76,NULL,'Carbon dioxide'); -INSERT INTO "medium2substance" VALUES(8,150,NULL,'L-Cystine 2HCl, L-Lysine hydrochloride, L-Tyrosine disodium salt dihydrate, Pyridoxine hydrochloride, Thiamine hydrochloride'); -INSERT INTO "medium2substance" VALUES(2,183,NULL,'Lysine'); -INSERT INTO "medium2substance" VALUES(2,178,NULL,'Histidine'); -INSERT INTO "medium2substance" VALUES(2,166,NULL,'Arginine'); -INSERT INTO "medium2substance" VALUES(2,169,NULL,'Aspartic acid'); -INSERT INTO "medium2substance" VALUES(2,192,NULL,'Threonine'); -INSERT INTO "medium2substance" VALUES(2,175,NULL,'Glutamic acid'); -INSERT INTO "medium2substance" VALUES(2,138,NULL,'Glycine'); -INSERT INTO "medium2substance" VALUES(2,196,NULL,'Valine'); -INSERT INTO "medium2substance" VALUES(2,186,NULL,'Methionine'); -INSERT INTO "medium2substance" VALUES(2,180,NULL,'Isoleucine'); -INSERT INTO "medium2substance" VALUES(2,182,NULL,'Leucine'); 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-INSERT INTO "medium2substance" VALUES(1,221,8.0e-06,'Norepinephrine sulfate'); -INSERT INTO "medium2substance" VALUES(1,222,0.2860335535,'Stearic acid'); -INSERT INTO "medium2substance" VALUES(1,223,0.29180212,'Oleic acid'); -INSERT INTO "medium2substance" VALUES(1,224,0.00525,'Caprylic acid'); -INSERT INTO "medium2substance" VALUES(1,225,0.0001801666666666,'L-Octanoylcarnitine'); -INSERT INTO "medium2substance" VALUES(1,226,0.0002,'2-Octenoylcarnitine'); -INSERT INTO "medium2substance" VALUES(1,227,0.1,'Elaidic acid'); -INSERT INTO "medium2substance" VALUES(1,105,61,'Ornithine'); -INSERT INTO "medium2substance" VALUES(1,187,61,'Ornithine'); -INSERT INTO "medium2substance" VALUES(1,228,0.002945,'Orotic acid'); -INSERT INTO "medium2substance" VALUES(1,229,0.01029,'Oxalic acid'); -INSERT INTO "medium2substance" VALUES(1,230,0.010825,'Oxidized glutathione'); -INSERT INTO "medium2substance" VALUES(1,231,0.100780833333333,'Pentadecanoic acid'); -INSERT INTO "medium2substance" VALUES(1,232,0.73955,'Phosphate'); 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-INSERT INTO "medium2substance" VALUES(1,250,0.000654,'Serotonin'); -INSERT INTO "medium2substance" VALUES(1,251,137.533333333333,'Sodium'); -INSERT INTO "medium2substance" VALUES(1,252,0.0047425,'Spermidine'); -INSERT INTO "medium2substance" VALUES(1,253,0.0033833333333333,'Spermine'); -INSERT INTO "medium2substance" VALUES(1,254,5.5e-05,'Sphinganine 1-phosphate'); -INSERT INTO "medium2substance" VALUES(1,255,0.000278,'Sphingosine 1-phosphate'); -INSERT INTO "medium2substance" VALUES(1,256,0.0136,'Succinic acid'); -INSERT INTO "medium2substance" VALUES(1,257,0.0018,'Sucrose'); -INSERT INTO "medium2substance" VALUES(1,258,0.35275,'Sulfate'); -INSERT INTO "medium2substance" VALUES(1,259,0.00123,'Sulfite'); -INSERT INTO "medium2substance" VALUES(1,260,6.0e-05,'Sulfolithocholylglycine'); -INSERT INTO "medium2substance" VALUES(1,261,0.0870909090909091,'Taurine'); -INSERT INTO "medium2substance" VALUES(1,262,0.0003,'Taurochenodesoxycholic acid'); -INSERT INTO "medium2substance" VALUES(1,263,0.00038,'Taurocholic acid'); -INSERT INTO "medium2substance" VALUES(1,264,6.2e-05,'Taurodeoxycholic acid'); -INSERT INTO "medium2substance" VALUES(1,265,0.001212,'Lithocholyltaurine'); -INSERT INTO "medium2substance" VALUES(1,266,7.275,'Testosterone'); -INSERT INTO "medium2substance" VALUES(1,267,0.0059583333333333,'Tetracosanoic acid'); -INSERT INTO "medium2substance" VALUES(1,268,0.0226672857142857,'Myristic acid'); -INSERT INTO "medium2substance" VALUES(1,271,0.03183,'Thiocyanate'); -INSERT INTO "medium2substance" VALUES(1,272,0.05115,'Thiosulfate'); -INSERT INTO "medium2substance" VALUES(1,273,0.0001472121,'Thromboxane B2'); -INSERT INTO "medium2substance" VALUES(1,274,0.0001366666666666,'Thymidine'); -INSERT INTO "medium2substance" VALUES(1,276,41,'Uridine 5-diphosphate'); -INSERT INTO "medium2substance" VALUES(1,277,155,'Uridine diphosphate glucose'); -INSERT INTO "medium2substance" VALUES(1,278,3.12e-06,'Ubiquinone-10'); -INSERT INTO "medium2substance" VALUES(1,279,0.001135,'Uracil'); -INSERT INTO "medium2substance" VALUES(1,280,0.2632195625,'Uric acid'); -INSERT INTO "medium2substance" VALUES(1,281,4.72292,'Urea'); -INSERT INTO "medium2substance" VALUES(1,282,0.0091066666666666,'Uridine'); -INSERT INTO "medium2substance" VALUES(1,283,0.00016,'Ursodeoxycholic acid'); -INSERT INTO "medium2substance" VALUES(1,286,55000,'Water'); -INSERT INTO "medium2substance" VALUES(1,287,2.2e-05,'Xanthurenic acid'); -INSERT INTO "medium2substance" VALUES(1,288,0.000677,'D-Xylitol'); -INSERT INTO "medium2substance" VALUES(1,290,0.143446279130435,'Eicosapentaenoic acid'); -INSERT INTO "medium2substance" VALUES(1,291,7.0e-06,'Cis-8,11,14,17-Eicosatetraenoic acid'); -INSERT INTO "medium2substance" VALUES(1,292,0.0466641666666667,'8,11,14-Eicosatrienoic acid'); -INSERT INTO "medium2substance" VALUES(1,293,0.000212,'Stearidonic acid'); -INSERT INTO "medium2substance" VALUES(1,294,0.000155,'Retinal'); -INSERT INTO "medium2substance" VALUES(1,295,0.0024199295081967,'Vitamin A'); -INSERT INTO "medium2substance" VALUES(1,296,0.0286517555555556,'Alpha-Linolenic acid'); -INSERT INTO "medium2substance" VALUES(1,297,0.0338456388235294,'Alpha-Tocopherol'); -INSERT INTO "medium2substance" VALUES(1,298,0.00423,'Alpha-Tocotrienol'); -INSERT INTO "medium2substance" VALUES(1,299,0.002635,'beta-Alanine'); -INSERT INTO "medium2substance" VALUES(1,300,0.0382245952380952,'B-Carotene'); -INSERT INTO "medium2substance" VALUES(1,301,0.0002,'Beta-tocopherol'); -INSERT INTO "medium2substance" VALUES(1,302,0.01213,'Gamma-Linolenic acid'); -INSERT INTO "medium2substance" VALUES(1,304,0.0986,'Vaccenic acid'); -INSERT INTO "medium2substance" VALUES(7,251,NULL,'Na2SO4, Na3C6H5O7.2H2O, NaCl, NaH2PO4.2H2O, Na2HPO4.2H2O'); -INSERT INTO "medium2substance" VALUES(7,81,NULL,'KCl, NaCl, CaCl2, NH4Cl'); -INSERT INTO "medium2substance" VALUES(7,258,NULL,'Na2SO4, MgSO4.7H2O'); -INSERT INTO "medium2substance" VALUES(7,280,NULL,'C5H4N4O3'); -INSERT INTO "medium2substance" VALUES(7,16,NULL,'Na3C6H5O7.2H2O'); -INSERT INTO "medium2substance" VALUES(7,94,NULL,'C4H7N3O'); -INSERT INTO "medium2substance" VALUES(7,281,NULL,'CH4N2O'); -INSERT INTO "medium2substance" VALUES(7,235,NULL,'KCl, K2C2O4.H2O'); -INSERT INTO "medium2substance" VALUES(7,75,NULL,'CaCl2'); -INSERT INTO "medium2substance" VALUES(7,56,NULL,'NH4Cl'); -INSERT INTO "medium2substance" VALUES(7,229,NULL,'K2C2O4.H2O'); -INSERT INTO "medium2substance" VALUES(7,201,NULL,'MgSO4.7H2O'); -INSERT INTO "medium2substance" VALUES(7,150,NULL,'NaH2PO4.2H2O, Na2HPO4.2H2O'); -INSERT INTO "medium2substance" VALUES(7,232,NULL,'NaH2PO4.2H2O, Na2HPO4.2H2O'); -INSERT INTO "medium2substance" VALUES(7,286,NULL,'Na3C6H5O7.2H2O, K2C2O4.H2O, MgSO4.7H2O, NaH2PO4.2H2O, Na2HPO4.2H2O'); -INSERT INTO "medium2substance" VALUES(7,120,NULL,'Oxygen'); -INSERT INTO "medium2substance" VALUES(4,102,NULL,'D-Glucose'); -INSERT INTO "medium2substance" VALUES(4,100,NULL,'Fructose'); -INSERT INTO "medium2substance" VALUES(4,79,NULL,'Cellobiose'); -INSERT INTO "medium2substance" VALUES(4,203,NULL,'Maltose'); -INSERT INTO "medium2substance" VALUES(4,145,NULL,'Hematin'); -INSERT INTO "medium2substance" VALUES(4,178,NULL,'L-Histidine'); -INSERT INTO "medium2substance" VALUES(4,173,NULL,'L-Cysteine'); -INSERT INTO "medium2substance" VALUES(4,156,NULL,'FeSO4.7H2O'); -INSERT INTO "medium2substance" VALUES(4,157,NULL,'FeSO4.7H2O'); -INSERT INTO "medium2substance" VALUES(4,258,NULL,'FeSO4.7H2O, ZnSO4*7H2O, AlK(SO4)2 (anhydrous), CuSO4 (anhydrous), MnSO4*H2O, MgSO4*7H2O'); -INSERT INTO "medium2substance" VALUES(4,286,NULL,'FeSO4.7H2O, ZnSO4*7H2O, Co(NO3)2.6H2O, Na2WO4.2H2O, NiCl2.6H2O, MgSO4*7H2O, Na2MoO4.2H2O'); -INSERT INTO "medium2substance" VALUES(4,289,NULL,'ZnSO4*7H2O'); -INSERT INTO "medium2substance" VALUES(4,89,NULL,'Co(NO3)2.6H2O'); -INSERT INTO "medium2substance" VALUES(4,217,NULL,'Co(NO3)2.6H2O'); -INSERT INTO "medium2substance" VALUES(4,235,NULL,'AlK(SO4)2 (anhydrous), KH2PO4'); -INSERT INTO "medium2substance" VALUES(4,251,NULL,'Na2SeO3 (anhydrous), Na2WO4.2H2O, NaCl, NaHCO3, Na2MoO4.2H2O'); -INSERT INTO "medium2substance" VALUES(4,81,NULL,'NiCl2.6H2O, CaCl2 (anhydrous), NaCl, Thiamine HCl, Pyridoxine HCl'); -INSERT INTO "medium2substance" VALUES(4,248,NULL,'Na2SeO3 (anhydrous)'); -INSERT INTO "medium2substance" VALUES(4,275,NULL,'Na2WO4.2H2O'); -INSERT INTO "medium2substance" VALUES(4,214,NULL,'NiCl2.6H2O'); -INSERT INTO "medium2substance" VALUES(4,75,NULL,'CaCl2 (anhydrous), Calcium Pantothenate'); -INSERT INTO "medium2substance" VALUES(4,90,NULL,'CuSO4 (anhydrous)'); -INSERT INTO "medium2substance" VALUES(4,204,NULL,'MnSO4*H2O'); -INSERT INTO "medium2substance" VALUES(4,201,NULL,'MgSO4*7H2O'); -INSERT INTO "medium2substance" VALUES(4,78,NULL,'NaHCO3'); -INSERT INTO "medium2substance" VALUES(4,269,NULL,'Na2MoO4.2H2O'); -INSERT INTO "medium2substance" VALUES(4,66,NULL,'Biotin'); -INSERT INTO "medium2substance" VALUES(4,270,NULL,'Thiamine HCl'); -INSERT INTO "medium2substance" VALUES(4,246,NULL,'Riboflavin'); -INSERT INTO "medium2substance" VALUES(4,240,NULL,'Niacin'); -INSERT INTO "medium2substance" VALUES(4,26,NULL,'Pyridoxine HCl'); -INSERT INTO "medium2substance" VALUES(4,25,NULL,'Calcium Pantothenate'); -INSERT INTO "medium2substance" VALUES(4,211,NULL,'Folic acid'); -INSERT INTO "medium2substance" VALUES(4,28,NULL,'p-Aminobenzoic acid'); -INSERT INTO "medium2substance" VALUES(4,36,NULL,'Lipoic acid'); -INSERT INTO "medium2substance" VALUES(4,285,NULL,'Vitamin B12'); -INSERT INTO "medium2substance" VALUES(4,87,NULL,'Vitamin B12'); -INSERT INTO "medium2substance" VALUES(4,88,NULL,'Vitamin B12'); -INSERT INTO "medium2substance" VALUES(4,206,NULL,'Vitamin K (menadione)'); -INSERT INTO "medium2substance" VALUES(4,51,NULL,'Acetic acid'); -INSERT INTO "medium2substance" VALUES(4,159,NULL,'Isovaleric acid'); -INSERT INTO "medium2substance" VALUES(4,237,NULL,'Propionic acid'); -INSERT INTO "medium2substance" VALUES(4,67,NULL,'Butyric acid'); -INSERT INTO "medium2substance" VALUES(4,150,NULL,'Thiamine HCl, Pyridoxine HCl, KH2PO4'); -INSERT INTO "medium2substance" VALUES(4,232,NULL,'KH2PO4'); -INSERT INTO "medium2substance" VALUES(4,76,NULL,'Carbon dioxide (From gas mix)'); -INSERT INTO "medium2substance" VALUES(4,219,NULL,'Nitrogen (From gas mix)'); -INSERT INTO "medium2substance" VALUES(2,164,NULL,'Alanine'); -INSERT INTO "medium2substance" VALUES(2,189,NULL,'Proline'); -INSERT INTO "medium2substance" VALUES(2,190,NULL,'Serine'); -INSERT INTO "medium2substance" VALUES(2,56,NULL,'Ammonia'); -INSERT INTO "medium2substance" VALUES(2,223,NULL,'Oleic acid'); -INSERT INTO "medium2substance" VALUES(2,222,NULL,'Stearic acid'); -INSERT INTO "medium2substance" VALUES(2,305,NULL,'Cysteic acid'); -INSERT INTO "medium2substance" VALUES(3,306,NULL,'NaOH'); -INSERT INTO "medium2substance" VALUES(4,307,NULL,'Hydrogen (From gas mix)'); -INSERT INTO "medium2substance" VALUES(4,308,NULL,'AlK(SO4)2 (anhydrous)'); -INSERT INTO "medium2substance" VALUES(10,251,NULL,'Sodium chloride, Sodium pyruvate, Monosodium phosphate'); -INSERT INTO "medium2substance" VALUES(10,81,NULL,'Sodium chloride, L-Lysine HCl, L-Ornithine HCl'); -INSERT INTO "medium2substance" VALUES(10,242,NULL,'Sodium pyruvate'); -INSERT INTO "medium2substance" VALUES(10,232,NULL,'Monosodium phosphate'); -INSERT INTO "medium2substance" VALUES(10,150,NULL,'Monosodium phosphate, Potassium H carbonate, L-Lysine HCl, L-Ornithine HCl'); -INSERT INTO "medium2substance" VALUES(10,75,NULL,'Calcium sulfate dihydrate'); -INSERT INTO "medium2substance" VALUES(10,258,NULL,'Calcium sulfate dihydrate'); -INSERT INTO "medium2substance" VALUES(10,286,NULL,'Calcium sulfate dihydrate'); -INSERT INTO "medium2substance" VALUES(10,235,NULL,'Potassium H carbonate'); -INSERT INTO "medium2substance" VALUES(10,78,NULL,'Potassium H carbonate'); -INSERT INTO "medium2substance" VALUES(10,102,NULL,'D-Glucose'); -INSERT INTO "medium2substance" VALUES(10,138,NULL,'Glycine'); -INSERT INTO "medium2substance" VALUES(10,182,NULL,'L-Leucine'); -INSERT INTO "medium2substance" VALUES(10,190,NULL,'L-Serine'); -INSERT INTO "medium2substance" VALUES(10,164,NULL,'L-Alanine'); -INSERT INTO "medium2substance" VALUES(10,166,NULL,'L-Arginine'); -INSERT INTO "medium2substance" VALUES(10,178,NULL,'L-Histidine'); -INSERT INTO "medium2substance" VALUES(10,196,NULL,'L-Valine'); -INSERT INTO "medium2substance" VALUES(10,180,NULL,'L-Isoleucine'); -INSERT INTO "medium2substance" VALUES(10,183,NULL,'L-Lysine HCl'); -INSERT INTO "medium2substance" VALUES(10,188,NULL,'L-Phenylalanine'); -INSERT INTO "medium2substance" VALUES(10,195,NULL,'L-Tyrosine'); -INSERT INTO "medium2substance" VALUES(10,176,NULL,'L-Glutamine'); -INSERT INTO "medium2substance" VALUES(10,169,NULL,'L-Aspartic acid'); -INSERT INTO "medium2substance" VALUES(10,175,NULL,'L-Glutamic acid'); -INSERT INTO "medium2substance" VALUES(10,189,NULL,'L-Proline'); -INSERT INTO "medium2substance" VALUES(10,187,NULL,'L-Ornithine HCl'); -INSERT INTO "medium2substance" VALUES(10,172,NULL,'L-Citrulline'); -INSERT INTO "medium2substance" VALUES(10,194,NULL,'L-Tryptophan'); -INSERT INTO "medium2substance" VALUES(10,168,NULL,'L-Asparagine'); -INSERT INTO "medium2substance" VALUES(10,192,NULL,'L-Threonine'); -INSERT INTO "medium2substance" VALUES(11,56,NULL,'From M9: NH4Cl'); -INSERT INTO "medium2substance" VALUES(11,89,NULL,'Cobalt Chloride hexahydrate'); -INSERT INTO "medium2substance" VALUES(11,81,NULL,'Cobalt Chloride hexahydrate, Calcium Chloride anhydrous, Thiamine HCl; From M9: NaCl, NH4Cl'); -INSERT INTO "medium2substance" VALUES(11,286,NULL,'Cobalt Chloride hexahydrate, Magnesium Sulfate heptahydrate'); -INSERT INTO "medium2substance" VALUES(11,75,NULL,'Calcium Chloride anhydrous, Calcium pantothenate'); -INSERT INTO "medium2substance" VALUES(11,201,NULL,'Magnesium Sulfate heptahydrate'); -INSERT INTO "medium2substance" VALUES(11,258,NULL,'Magnesium Sulfate heptahydrate'); -INSERT INTO "medium2substance" VALUES(11,102,NULL,'Glucose'); -INSERT INTO "medium2substance" VALUES(11,120,NULL,'Oxygen'); -INSERT INTO "medium2substance" VALUES(11,150,NULL,'Thiamine HCl, From M9: KH2PO4, Na2HPO4'); -INSERT INTO "medium2substance" VALUES(11,232,NULL,'From M9: KH2PO4, Na2HPO4'); -INSERT INTO "medium2substance" VALUES(11,235,NULL,'From M9: KH2PO4'); -INSERT INTO "medium2substance" VALUES(11,251,NULL,'From M9: NaCl, Na2HPO4'); -INSERT INTO "medium2substance" VALUES(11,166,NULL,'L-Arginine'); -INSERT INTO "medium2substance" VALUES(11,189,NULL,'L-Proline'); -INSERT INTO "medium2substance" VALUES(11,270,NULL,'Thiamine HCl'); -INSERT INTO "medium2substance" VALUES(11,66,NULL,'Biotin'); -INSERT INTO "medium2substance" VALUES(11,240,NULL,'Nicotinic acid'); -INSERT INTO "medium2substance" VALUES(11,25,NULL,'Calcium pantothenate'); -INSERT INTO "medium2substance" VALUES(5,314,NULL,'Selenium'); -INSERT INTO "medium2substance" VALUES(5,315,NULL,'Selenium'); -INSERT INTO "medium2substance" VALUES(5,316,NULL,'Selenium'); -INSERT INTO "medium2substance" VALUES(5,248,NULL,'Selenium'); - - -CREATE TABLE IF NOT EXISTS "subset" ( - id INTEGER PRIMARY KEY, - name TEXT NOT NULL UNIQUE, - description NTEXT NOT NULL -); -INSERT INTO "subset" VALUES(1,'CasA','Casamino acids (based on: https://www.usbio.net/media/C2080/casamino-acids#:~:text=Casamino%2520Acids%2520is%2520a%2520hydrochloric,destroyed%2520by%2520the%2520acid%2520treatment)'); -INSERT INTO "subset" VALUES(2,'protAA','Proteinogenic amino acids'); -INSERT INTO "subset" VALUES(3,'artSe','Artificial Sebum (based on: https://journals.asm.org/doi/10.1128/spectrum.04180-22, Table 2)'); -INSERT INTO "subset" VALUES(4,'DiReM','Dissociation reaction metabolites'); - - -CREATE TABLE IF NOT EXISTS "subset2substance" ( - subset_id INTEGER, - substance_id INTEGER, - percent NUMERIC DEFAULT 1.0, - FOREIGN KEY(subset_id) REFERENCES subset(id), - FOREIGN KEY(substance_id) REFERENCES substance(id), - PRIMARY KEY(subset_id, substance_id) -); -INSERT INTO "subset2substance" VALUES(1,164,0.028); -INSERT INTO "subset2substance" VALUES(1,166,0.036); -INSERT INTO "subset2substance" VALUES(1,169,0.063); -INSERT INTO "subset2substance" VALUES(1,162,0.003); -INSERT INTO "subset2substance" VALUES(1,175,0.211); -INSERT INTO "subset2substance" VALUES(1,138,0.022); -INSERT INTO "subset2substance" VALUES(1,178,0.027); -INSERT INTO "subset2substance" VALUES(1,180,0.056); -INSERT INTO "subset2substance" VALUES(1,182,0.084); -INSERT INTO "subset2substance" VALUES(1,183,0.075); -INSERT INTO "subset2substance" VALUES(1,186,0.027); -INSERT INTO "subset2substance" VALUES(1,188,0.046); -INSERT INTO "subset2substance" VALUES(1,189,0.099); -INSERT INTO "subset2substance" VALUES(1,190,0.056); -INSERT INTO "subset2substance" VALUES(1,192,0.042); -INSERT INTO "subset2substance" VALUES(1,194,0.011); -INSERT INTO "subset2substance" VALUES(1,195,0.061); -INSERT INTO "subset2substance" VALUES(1,196,0.05); -INSERT INTO "subset2substance" VALUES(2,164,1); -INSERT INTO "subset2substance" VALUES(2,166,1); -INSERT INTO "subset2substance" VALUES(2,168,1); -INSERT INTO "subset2substance" VALUES(2,169,1); -INSERT INTO "subset2substance" VALUES(2,173,1); -INSERT INTO "subset2substance" VALUES(2,175,1); -INSERT INTO "subset2substance" VALUES(2,176,1); -INSERT INTO "subset2substance" VALUES(2,138,1); -INSERT INTO "subset2substance" VALUES(2,178,1); -INSERT INTO "subset2substance" VALUES(2,180,1); -INSERT INTO "subset2substance" VALUES(2,182,1); -INSERT INTO "subset2substance" VALUES(2,183,1); -INSERT INTO "subset2substance" VALUES(2,186,1); -INSERT INTO "subset2substance" VALUES(2,188,1); -INSERT INTO "subset2substance" VALUES(2,189,1); -INSERT INTO "subset2substance" VALUES(2,190,1); -INSERT INTO "subset2substance" VALUES(2,192,1); -INSERT INTO "subset2substance" VALUES(2,194,1); -INSERT INTO "subset2substance" VALUES(2,195,1); -INSERT INTO "subset2substance" VALUES(2,196,1); -INSERT INTO "subset2substance" VALUES(3,309,0.15); -INSERT INTO "subset2substance" VALUES(3,86,0.012); -INSERT INTO "subset2substance" VALUES(3,310,0.024); -INSERT INTO "subset2substance" VALUES(3,311,0.15); -INSERT INTO "subset2substance" VALUES(3,223,0.26003118); -INSERT INTO "subset2substance" VALUES(3,268,0.06488692); -INSERT INTO "subset2substance" VALUES(3,122,0.11967712); -INSERT INTO "subset2substance" VALUES(3,147,0.21487992); -INSERT INTO "subset2substance" VALUES(3,111,0.01327186); -INSERT INTO "subset2substance" VALUES(3,205,6.368e-05); -INSERT INTO "subset2substance" VALUES(3,222,0.02062044); -INSERT INTO "subset2substance" VALUES(3,60,0.00094698); -INSERT INTO "subset2substance" VALUES(3,63,0.00027534); -INSERT INTO "subset2substance" VALUES(3,267,5.298e-05); -INSERT INTO "subset2substance" VALUES(3,148,0.00711788); -INSERT INTO "subset2substance" VALUES(3,312,0.00068406); -INSERT INTO "subset2substance" VALUES(3,199,0.29159666); -INSERT INTO "subset2substance" VALUES(3,75,1.536e-05); -INSERT INTO "subset2substance" VALUES(3,156,2.18e-06); -INSERT INTO "subset2substance" VALUES(3,157,2.18e-06); -INSERT INTO "subset2substance" VALUES(3,286,0.0004337); -INSERT INTO "subset2substance" VALUES(3,83,4.08e-06); -INSERT INTO "subset2substance" VALUES(3,297,0.000175); -INSERT INTO "subset2substance" VALUES(3,233,7.8e-07); -INSERT INTO "subset2substance" VALUES(3,235,8.46e-06); -INSERT INTO "subset2substance" VALUES(3,251,2.734e-05); -INSERT INTO "subset2substance" VALUES(3,67,3.442e-05); -INSERT INTO "subset2substance" VALUES(3,224,0.01862542); -INSERT INTO "subset2substance" VALUES(3,231,3.078e-05); -INSERT INTO "subset2substance" VALUES(3,289,1.0e-07); -INSERT INTO "subset2substance" VALUES(3,296,3.758e-05); -INSERT INTO "subset2substance" VALUES(3,61,0.00049758); -INSERT INTO "subset2substance" VALUES(4,286,1); -INSERT INTO "subset2substance" VALUES(4,49,1); -INSERT INTO "subset2substance" VALUES(4,150,1); -INSERT INTO "subset2substance" VALUES(4,232,1); -INSERT INTO "subset2substance" VALUES(4,70,1); -INSERT INTO "subset2substance" VALUES(4,318,1); -INSERT INTO "subset2substance" VALUES(4,132,1); -INSERT INTO "subset2substance" VALUES(4,131,1); -INSERT INTO "subset2substance" VALUES(4,319,1); -INSERT INTO "subset2substance" VALUES(4,276,1); -INSERT INTO "subset2substance" VALUES(4,320,1); -INSERT INTO "subset2substance" VALUES(4,321,1); -INSERT INTO "subset2substance" VALUES(4,215,1); -INSERT INTO "subset2substance" VALUES(4,322,1); -INSERT INTO "subset2substance" VALUES(4,216,1); -INSERT INTO "subset2substance" VALUES(4,323,1); -INSERT INTO "subset2substance" VALUES(4,128,1); -INSERT INTO "subset2substance" VALUES(4,324,1); -INSERT INTO "subset2substance" VALUES(4,127,1); -INSERT INTO "subset2substance" VALUES(4,325,1); -INSERT INTO "subset2substance" VALUES(4,326,1); -INSERT INTO "subset2substance" VALUES(4,327,1); -INSERT INTO "subset2substance" VALUES(4,329,1); -INSERT INTO "subset2substance" VALUES(4,328,1); -INSERT INTO "subset2substance" VALUES(4,331,1); -INSERT INTO "subset2substance" VALUES(4,330,1); -INSERT INTO "subset2substance" VALUES(4,332,1); -INSERT INTO "subset2substance" VALUES(4,51,1); -INSERT INTO "subset2substance" VALUES(4,334,1); -INSERT INTO "subset2substance" VALUES(4,102,1); -INSERT INTO "subset2substance" VALUES(4,17,1); -INSERT INTO "subset2substance" VALUES(4,56,1); -INSERT INTO "subset2substance" VALUES(4,48,1); - - -CREATE TABLE IF NOT EXISTS substance ( - id INTEGER PRIMARY KEY, - name NTEXT NOT NULL UNIQUE, - formula TEXT -); -INSERT INTO "substance" VALUES(1,'(13Z)-13-Docosenoic acid [Erucic acid]','C22H42O2'); -INSERT INTO "substance" VALUES(2,'(15Z)-Tetracosenoate [Nervonate]','C24H45O2'); -INSERT INTO "substance" VALUES(3,'(20S)-20-Hydroxypregn-4-en-3-one [20alpha-Hydroxyprogesterone]','C21H32O2'); -INSERT INTO "substance" VALUES(4,'(2E)-But-2-enedioate [Fumarate]','C4H2O4'); -INSERT INTO "substance" VALUES(5,'(4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene [D-Limonene]','C10H16'); -INSERT INTO "substance" VALUES(6,'(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoate [Cervonic acid]','C22H31O2'); -INSERT INTO "substance" VALUES(7,'(7Z,10Z,13Z,16Z)-Docosatetraenoate [Adrenic acid]','C22H35O2'); -INSERT INTO "substance" VALUES(8,'(R)-3-Hydroxybutanoate [(R)-3-Hydroxybutyric acid]','C4H7O3'); -INSERT INTO "substance" VALUES(9,'(S)-3-Methyl-2-oxopentanoate [3-Methyl-2-Oxovaleric acid]','C6H9O3'); -INSERT INTO "substance" VALUES(10,'1-Methylnicotinamide','C7H9N2O'); -INSERT INTO "substance" VALUES(11,'1-Methyl-4-imidazoleacetic acid','C6H8N2O2'); -INSERT INTO "substance" VALUES(12,'2 Hydroxybutyrate [2-Hydroxybutyric acid]','C4H8O3'); -INSERT INTO "substance" VALUES(13,'2,2-Bipyridine','C10H8N2'); -INSERT INTO "substance" VALUES(14,'2,3-Cyclic GMP [Cyclic GMP]','C10H12N5O7P'); -INSERT INTO "substance" VALUES(15,'2-Methylcitrate [2-Methylcitric acid]','C7H7O7'); -INSERT INTO "substance" VALUES(16,'2-Oxidopropane-1,2,3-tricarboxylate [Citrate]','C6H4O7'); -INSERT INTO "substance" VALUES(17,'2-Oxoglutarate [Oxoglutaric acid]','C5H4O5'); -INSERT INTO "substance" VALUES(18,'25-Hydroxyvitamin D2','C28H44O2'); -INSERT INTO "substance" VALUES(19,'3,4-Dihydroxybenzoate','C7H5O4'); -INSERT INTO "substance" VALUES(20,'3,4-Dihydroxyphenylethyleneglycol [3,4-Dihydroxyphenylglycol]','C8H10O4'); -INSERT INTO "substance" VALUES(21,'3,5-Cyclic GMP [Cyclic GMP]','C10H12N5O7P'); -INSERT INTO "substance" VALUES(22,'3-(4-Hydroxyphenyl)pyruvate [4-Hydroxyphenylpyruvic acid]','C9H7O4'); -INSERT INTO "substance" VALUES(23,'3-Hydroxyhexadecanoylcarnithine','C23H45NO5'); -INSERT INTO "substance" VALUES(24,'3-Methyl-2-oxobutanoate [alpha-Ketoisovaleric acid]','C5H7O3'); -INSERT INTO "substance" VALUES(25,'3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoate [Pantothenate]','C9H16NO5'); -INSERT INTO "substance" VALUES(26,'4,5-Bis(hydroxymethyl)-2-methylpyridin-3-ol [Pyridoxine]','C8H11NO3'); -INSERT INTO "substance" VALUES(27,'4-(Azaniumylmethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium [Pyridoxamine]','C8H14N2O2'); -INSERT INTO "substance" VALUES(28,'4-Aminobenzoic acid','C7H7NO2'); -INSERT INTO "substance" VALUES(29,'4-Aminobutanoate [gamma-Aminobutyric acid]','C4H8NO2'); -INSERT INTO "substance" VALUES(30,'4-Formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium [Pyridoxal]','C8H10NO3'); -INSERT INTO "substance" VALUES(31,'4-Hydroxydebrisoquin','C10H13N3O'); -INSERT INTO "substance" VALUES(32,'4-Hydroxyphenylacetate [p-Hydroxyphenylacetic acid]','C8H8O3'); -INSERT INTO "substance" VALUES(33,'4-Methyl-2-oxopentanoate [Ketoleucine]','C6H9O3'); -INSERT INTO "substance" VALUES(34,'4-Pyridoxate','C8H8NO4'); -INSERT INTO "substance" VALUES(35,'5,6,7,8-Tetrahydrofolate [Tetrahydrofolic acid]','C19H23N7O6'); -INSERT INTO "substance" VALUES(36,'5-(1,2-Dithiolan-3-yl)pentanoate [Lipoate]','C8H13O2S2'); -INSERT INTO "substance" VALUES(37,'5-Adenylic acid [AMP]','C10H14N5O7P'); -INSERT INTO "substance" VALUES(38,'5-Formyltetrahydrofolate','C20H21N7O7'); -INSERT INTO "substance" VALUES(39,'5-Guanylic acid [GMP]','C10H14N5O8P'); -INSERT INTO "substance" VALUES(40,'5-Hydroxy-L-tryptophan','C11H12N2O3'); -INSERT INTO "substance" VALUES(41,'5-Methyltetrahydrofolate [5-Methyltetrahydrofolic acid]','C20H25N7O6'); -INSERT INTO "substance" VALUES(42,'5-Oxoproline [Pyroglutamic acid]','C5H7NO3'); -INSERT INTO "substance" VALUES(43,'5-Phospho-alpha-D-ribose 1-diphosphate [Phosphoribosyl pyrophosphate]','C5H13O14P3'); -INSERT INTO "substance" VALUES(44,'5-Uridylic acid [UMP]','C9H13N2O9P'); -INSERT INTO "substance" VALUES(45,'5-beta-Dihydrotestosterone','C19H28O2'); -INSERT INTO "substance" VALUES(46,'7,8-Dihydrofolate [Dihydrofolic acid]','C19H21N7O6'); -INSERT INTO "substance" VALUES(47,'9-cis-Retinol','C20H30O'); -INSERT INTO "substance" VALUES(48,'ADP [Adenosine diphosphate]','C10H15N5O10P2'); -INSERT INTO "substance" VALUES(49,'ATP [Adenosine triphosphate]','C10H16N5O13P3'); -INSERT INTO "substance" VALUES(50,'Acetaldehyde','C2H4O'); -INSERT INTO "substance" VALUES(51,'Acetate [Acetic acid]','C2H3O2'); -INSERT INTO "substance" VALUES(52,'Acetoacetate [Acetoacetic acid]','C4H6O3'); -INSERT INTO "substance" VALUES(53,'Acetone','C3H6O'); -INSERT INTO "substance" VALUES(54,'Adenine','C5H5N5'); -INSERT INTO "substance" VALUES(55,'Adenosine','C10H13N5O4'); -INSERT INTO "substance" VALUES(56,'Ammonia','H3N'); -INSERT INTO "substance" VALUES(57,'Androsterone','C19H30O2'); -INSERT INTO "substance" VALUES(58,'Androsterone 3-glucosiduronic acid','C25H38O8'); -INSERT INTO "substance" VALUES(59,'Anthranilate [2-Aminobenzoic acid]','C7H6NO2'); -INSERT INTO "substance" VALUES(60,'Arachidic acid','C20H40O2'); -INSERT INTO "substance" VALUES(61,'Arachidonate','C20H31O2'); -INSERT INTO "substance" VALUES(62,'Arsenite','AsO3'); -INSERT INTO "substance" VALUES(63,'Behenate [Docosanoate]','C22H43O2'); -INSERT INTO "substance" VALUES(64,'Benzoate [Benzoic acid]','C7H5O2'); -INSERT INTO "substance" VALUES(65,'Billirubin','C33H36N4O6'); -INSERT INTO "substance" VALUES(66,'Biotin','C10H15N2O3S'); -INSERT INTO "substance" VALUES(67,'Butyrate','C4H7O2'); -INSERT INTO "substance" VALUES(68,'Butyryl carnitine','C11H21NO4'); -INSERT INTO "substance" VALUES(69,'CAMP [Cyclic AMP]','C10H12N5O6P'); -INSERT INTO "substance" VALUES(70,'CDP [Cytidine diphosphate]','C9H15N3O11P2'); -INSERT INTO "substance" VALUES(71,'CMP','C9H14N3O8P'); -INSERT INTO "substance" VALUES(72,'Cadmium(II) cation [Cd2+]','Cd'); -INSERT INTO "substance" VALUES(73,'Calcidiol [25-Hydroxyvitamin D3]','C27H44O2'); -INSERT INTO "substance" VALUES(74,'Calciol [Vitamin D3]','C27H44O'); -INSERT INTO "substance" VALUES(75,'Calcium(II) cation [Ca(2+)]','Ca'); -INSERT INTO "substance" VALUES(76,'Carbon dioxide [CO2]','CO2'); -INSERT INTO "substance" VALUES(77,'Carbon monoxide','CO'); -INSERT INTO "substance" VALUES(78,'Hydrogencarbonate','CHO3'); -INSERT INTO "substance" VALUES(79,'Cellobiose','C12H22O11'); -INSERT INTO "substance" VALUES(80,'Chenodeoxycholate [Chenodeoxycholic acid]','C24H39O4'); -INSERT INTO "substance" VALUES(81,'Chloride [Cl(-)]','Cl'); -INSERT INTO "substance" VALUES(82,'Cholate [Cholic acid]','C24H39O5'); -INSERT INTO "substance" VALUES(83,'Choline','C5H14NO'); -INSERT INTO "substance" VALUES(84,'Chorismate','C10H8O6'); -INSERT INTO "substance" VALUES(85,'Chromate','CrO4'); -INSERT INTO "substance" VALUES(86,'Cholesterol','C27H46O'); -INSERT INTO "substance" VALUES(87,'Cob(I)alamin','C62H89CoN13O14P'); -INSERT INTO "substance" VALUES(88,'Cob(II)alamin','C62H88CoN13O14P'); -INSERT INTO "substance" VALUES(89,'Cobalt(II) cation [Co(2+)]','Co'); -INSERT INTO "substance" VALUES(90,'Copper(II) cation [Cu(2+)]','Cu'); -INSERT INTO "substance" VALUES(91,'Corticosterone','C21H30O4'); -INSERT INTO "substance" VALUES(92,'Cortisol','C21H30O5'); -INSERT INTO "substance" VALUES(93,'Creatine','C4H9N3O2'); -INSERT INTO "substance" VALUES(94,'Creatinine','C4H7N3O'); -INSERT INTO "substance" VALUES(95,'Cyanate','CNO'); -INSERT INTO "substance" VALUES(96,'Cys Gly [Cysteinylglycine]','C5H10N2O3S'); -INSERT INTO "substance" VALUES(97,'Cytidine','C9H13N3O5'); -INSERT INTO "substance" VALUES(98,'Cytosine','C4H5N3O'); -INSERT INTO "substance" VALUES(99,'D-Alanine','C3H7NO2'); -INSERT INTO "substance" VALUES(100,'D-Fructose','C6H12O6'); -INSERT INTO "substance" VALUES(101,'D-Galactose','C6H12O6'); -INSERT INTO "substance" VALUES(102,'D-Glucose','C6H12O6'); -INSERT INTO "substance" VALUES(103,'D-Lactate [D-Lactic acid]','C3H5O3'); -INSERT INTO "substance" VALUES(104,'D-Mannose','C6H12O6'); -INSERT INTO "substance" VALUES(105,'D-Ornithine','C5H12N2O2'); -INSERT INTO "substance" VALUES(106,'D-Ribose','C5H10O5'); -INSERT INTO "substance" VALUES(107,'D-Serine','C3H7NO3'); -INSERT INTO "substance" VALUES(108,'D-Sorbitol [Sorbitol]','C6H14O6'); -INSERT INTO "substance" VALUES(109,'D-Xylose','C5H10O5'); -INSERT INTO "substance" VALUES(110,'Debrisoquine','C10H13N3'); -INSERT INTO "substance" VALUES(111,'Decanoate','C10H19O2'); -INSERT INTO "substance" VALUES(112,'Decanoyl carnitine','C17H33NO4'); -INSERT INTO "substance" VALUES(113,'Dehydroascorbate [Dehydroascorbic acid]','C6H6O6'); -INSERT INTO "substance" VALUES(114,'Dehydroepiandrosterone sulfate','C19H28O5S'); -INSERT INTO "substance" VALUES(115,'Deoxyadenosine','C10H13N5O3'); -INSERT INTO "substance" VALUES(116,'Deoxycholate [Deoxycholic acid]','C24H40O4'); -INSERT INTO "substance" VALUES(117,'Deoxycytidine','C9H13N3O4'); -INSERT INTO "substance" VALUES(118,'Deoxyuridine','C9H12N2O5'); -INSERT INTO "substance" VALUES(119,'Dihydroxyacetone phosphate','C3H7O6P'); -INSERT INTO "substance" VALUES(120,'Dioxygen [O2]','O2'); -INSERT INTO "substance" VALUES(121,'Diphosphate [Pyrophosphate]','O7P2'); -INSERT INTO "substance" VALUES(122,'Dodecanoate','C12H23O2'); -INSERT INTO "substance" VALUES(123,'Dopamine 3-O-sulfate','C8H11NO5S'); -INSERT INTO "substance" VALUES(124,'Ergocalciferol [Vitamin D2]','C28H44O'); -INSERT INTO "substance" VALUES(125,'Estrone 3-sulfate','C18H21O5S'); -INSERT INTO "substance" VALUES(126,'Ethanol','C2H6O'); -INSERT INTO "substance" VALUES(127,'FMN [oxidized Flavin mononucleotide]','C17H21N4O9P'); -INSERT INTO "substance" VALUES(128,'FAD [oxidized Flavin adenine dinucleotide]','C27H33N9O15P2'); -INSERT INTO "substance" VALUES(129,'Formaldehyde','CH2O'); -INSERT INTO "substance" VALUES(130,'Formate [Formic acid]','CHO2'); -INSERT INTO "substance" VALUES(131,'GDP [Guanosine diphosphate]','C10H15N5O11P2'); -INSERT INTO "substance" VALUES(132,'GTP [Guanosine triphosphate]','C10H16N5O14P3'); -INSERT INTO "substance" VALUES(133,'Globoside',NULL); -INSERT INTO "substance" VALUES(134,'Glucosamine','C6H13NO5'); -INSERT INTO "substance" VALUES(135,'Glucuronate [D-Glucuronic acid]','C6H9O7'); -INSERT INTO "substance" VALUES(136,'Glycerol','C3H8O3'); -INSERT INTO "substance" VALUES(137,'Glycerol 3-phosphate','C3H9O6P'); -INSERT INTO "substance" VALUES(138,'Glycine','C2H5NO2'); -INSERT INTO "substance" VALUES(139,'Glycine betaine [Betaine]','C5H12NO2'); -INSERT INTO "substance" VALUES(140,'Glycochenodeoxycholate','C26H42NO5'); -INSERT INTO "substance" VALUES(141,'Glycocholate','C26H42NO6'); -INSERT INTO "substance" VALUES(142,'Glycolithocolate [Lithocholic acid glycine conjugate]','C26H43NO4'); -INSERT INTO "substance" VALUES(143,'Glycoursodeoxycholate [Glycoursodeoxycholic acid]','C26H42NO5'); -INSERT INTO "substance" VALUES(144,'Guanosine','C10H13N5O5'); -INSERT INTO "substance" VALUES(145,'HemeD','C34H32FeN4O6'); -INSERT INTO "substance" VALUES(146,'Hexacosanoate','C26H51O2'); -INSERT INTO "substance" VALUES(147,'Hexadecanoate [Palmitic acid]','C16H32O2'); -INSERT INTO "substance" VALUES(148,'Hexadecenoate','C16H29O2'); -INSERT INTO "substance" VALUES(149,'Hyaluronate beta1','C28H40N2O22'); -INSERT INTO "substance" VALUES(150,'Hydrogen [H(+)]','H'); -INSERT INTO "substance" VALUES(151,'Hydrogen peroxide','H2O2'); -INSERT INTO "substance" VALUES(152,'Hydrogen sulfide','H2S'); -INSERT INTO "substance" VALUES(153,'Hypoxanthine','C5H4N4O'); -INSERT INTO "substance" VALUES(154,'IMP [Inosinic acid]','C10H13N4O8P'); -INSERT INTO "substance" VALUES(155,'Inosine','C10H12N4O5'); -INSERT INTO "substance" VALUES(156,'Iron(II) cation [Fe(2+)]','Fe'); -INSERT INTO "substance" VALUES(157,'Iron(III) cation [Fe(3+)]','Fe'); -INSERT INTO "substance" VALUES(158,'Isobutyrate','C4H7O2'); -INSERT INTO "substance" VALUES(159,'Isovalerate','C5H9O2'); -INSERT INTO "substance" VALUES(160,'Isovaleryl carnitine','C12H23NO4'); -INSERT INTO "substance" VALUES(161,'L Arabinitol [L-Arabitol]','C5H12O5'); -INSERT INTO "substance" VALUES(162,'L-Cystine','C6H12N2O4S2'); -INSERT INTO "substance" VALUES(163,'L-3-Amino-isobutanoate [(S)-b-Aminoisobutyric acid]','C4H9NO2'); -INSERT INTO "substance" VALUES(164,'L-Alanine','C3H7NO2'); -INSERT INTO "substance" VALUES(165,'L-Arabinose','C5H10O5'); -INSERT INTO "substance" VALUES(166,'L-Arginine','C6H14N4O2'); -INSERT INTO "substance" VALUES(167,'L-Ascorbate [Ascorbic acid]','C6H7O6'); -INSERT INTO "substance" VALUES(168,'L-Asparagine','C4H8N2O3'); -INSERT INTO "substance" VALUES(169,'L-Aspartate','C4H6NO4'); -INSERT INTO "substance" VALUES(170,'L-Carnitine','C7H15NO3'); -INSERT INTO "substance" VALUES(171,'L-Carnosine','C9H14N4O3'); -INSERT INTO "substance" VALUES(172,'L-Citrulline [Citrulline]','C6H13N3O3'); -INSERT INTO "substance" VALUES(173,'L-Cysteine','C3H7NO2S'); -INSERT INTO "substance" VALUES(174,'L-Dopa [3,4-Dihydroxy-L-phenylalanine]','C9H11NO4'); -INSERT INTO "substance" VALUES(175,'L-Glutamate','C5H8NO4'); -INSERT INTO "substance" VALUES(176,'L-Glutamine','C5H10N2O3'); -INSERT INTO "substance" VALUES(177,'L-Glycerate','C3H5O4'); -INSERT INTO "substance" VALUES(178,'L-Histidine','C6H9N3O2'); -INSERT INTO "substance" VALUES(179,'L-Homoserine','C4H9NO3'); -INSERT INTO "substance" VALUES(180,'L-Isoleucine','C6H13NO2'); -INSERT INTO "substance" VALUES(181,'L-Lactate [L-Lactic acid]','C3H5O3'); -INSERT INTO "substance" VALUES(182,'L-Leucine','C6H13NO2'); -INSERT INTO "substance" VALUES(183,'L-Lysine','C6H14N2O2'); -INSERT INTO "substance" VALUES(184,'L-Malate [L-Malic acid]','C4H4O5'); -INSERT INTO "substance" VALUES(185,'L-Metanephrine','C10H15NO3'); -INSERT INTO "substance" VALUES(186,'L-Methionine','C5H11NO2S'); -INSERT INTO "substance" VALUES(187,'L-Ornithine','C5H12N2O2'); -INSERT INTO "substance" VALUES(188,'L-Phenylalanine','C9H11NO2'); -INSERT INTO "substance" VALUES(189,'L-Proline','C5H9NO2'); -INSERT INTO "substance" VALUES(190,'L-Serine','C3H7NO3'); -INSERT INTO "substance" VALUES(191,'L-Sorbitol [Sorbitol]','C6H14O6'); -INSERT INTO "substance" VALUES(192,'L-Threonine','C4H9NO3'); -INSERT INTO "substance" VALUES(193,'L-Thyroxine','C15H11I4NO4'); -INSERT INTO "substance" VALUES(194,'L-Tryptophan','C11H12N2O2'); -INSERT INTO "substance" VALUES(195,'L-Tyrosine','C9H11NO3'); -INSERT INTO "substance" VALUES(196,'L-Valine','C5H11NO2'); -INSERT INTO "substance" VALUES(197,'L-gamma-Glutamyl-L-cysteinylglycine [Glutathione]','C10H17N3O6S'); -INSERT INTO "substance" VALUES(198,'Lead(II) cation [Pb(2+)]','Pb'); -INSERT INTO "substance" VALUES(199,'Linoleic acid','C18H31O2'); -INSERT INTO "substance" VALUES(200,'Lithocholate [Lithocholic acid]','C24H39O3'); -INSERT INTO "substance" VALUES(201,'Magnesium(II) cation [Mg(2+)]','Mg'); -INSERT INTO "substance" VALUES(202,'Maleate','C4H3O4'); -INSERT INTO "substance" VALUES(203,'Maltose','C12H22O11'); -INSERT INTO "substance" VALUES(204,'Manganese(II) cation [Mn(2+)]','Mn'); -INSERT INTO "substance" VALUES(205,'Margarate [Heptadecanoate]','C17H33O2'); -INSERT INTO "substance" VALUES(206,'Menadione [Vitamin K]','C11H8O2'); -INSERT INTO "substance" VALUES(207,'Mercury(II) cation [Hg(2+)]','Hg'); -INSERT INTO "substance" VALUES(208,'Methanol','CH4O'); -INSERT INTO "substance" VALUES(209,'Methylglyoxal [Pyruvaldehyde]','C3H4O2'); -INSERT INTO "substance" VALUES(210,'Myo-inositol','C6H12O6'); -INSERT INTO "substance" VALUES(211,'N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid [Folate]','C19H19N7O6'); -INSERT INTO "substance" VALUES(212,'N2-phenylacetyl-L-glutaminate','C13H15N2O4'); -INSERT INTO "substance" VALUES(213,'Niacinamide','C6H6N2O'); -INSERT INTO "substance" VALUES(214,'Nickel(II) cation [Ni(2+)]','Ni'); -INSERT INTO "substance" VALUES(215,'NAD [oxidized Nicotinamide adenine dinucleotide]','C21H27N7O14P2'); -INSERT INTO "substance" VALUES(216,'NADP [oxidized Nicotinamide adenine dinucleotide phosphate]','C21H28N7O17P3'); -INSERT INTO "substance" VALUES(217,'Nitrate [NO3(-)]','NO3'); -INSERT INTO "substance" VALUES(218,'Nitrite','NO2'); -INSERT INTO "substance" VALUES(219,'Nitrogen','N2'); -INSERT INTO "substance" VALUES(220,'Norepinephrine','C8H11NO3'); -INSERT INTO "substance" VALUES(221,'Norepinephrine sulfate','C8H11NO6S'); -INSERT INTO "substance" VALUES(222,'Octadecanoate [Stearic acid]','C18H35O2'); -INSERT INTO "substance" VALUES(223,'Octadecenoate [Oleic acid]','C18H34O2'); -INSERT INTO "substance" VALUES(224,'Octanoate [Caprylic acid]','C8H15O2'); -INSERT INTO "substance" VALUES(225,'Octanoyl carnitine [L-Octanoylcarnitine]','C15H29NO4'); -INSERT INTO "substance" VALUES(226,'Octenoyl carnitine','C15H27NO4'); -INSERT INTO "substance" VALUES(227,'Oleate','C18H33O2'); -INSERT INTO "substance" VALUES(228,'Orotate [Orotic acid]','C5H3N2O4'); -INSERT INTO "substance" VALUES(229,'Oxalate','C2HO4'); -INSERT INTO "substance" VALUES(230,'Oxidized glutathione','C20H32N6O12S2'); -INSERT INTO "substance" VALUES(231,'Pentadecanoate','C15H29O2'); -INSERT INTO "substance" VALUES(232,'Phosphate [PO4(3-)]','O4P'); -INSERT INTO "substance" VALUES(233,'Phylloquinone [Vitamin K1]','C31H46O2'); -INSERT INTO "substance" VALUES(234,'Phytanate','C20H39O2'); -INSERT INTO "substance" VALUES(235,'Potassium(I) cation [K(+)]','K'); -INSERT INTO "substance" VALUES(236,'Progesterone','C21H30O2'); -INSERT INTO "substance" VALUES(237,'Propionate','C3H5O2'); -INSERT INTO "substance" VALUES(238,'Protoheme','C34H32FeN4O4'); -INSERT INTO "substance" VALUES(239,'Putrescine','C4H12N2'); -INSERT INTO "substance" VALUES(240,'Pyridine-3-carboxylate [Niacin]','C6H4NO2'); -INSERT INTO "substance" VALUES(241,'Pyridoxal 5-phosphate','C8H10NO6P'); -INSERT INTO "substance" VALUES(242,'Pyruvate [Pyruvic acid]','C3H3O3'); -INSERT INTO "substance" VALUES(243,'Retinoate [all-trans-Retinoic acid]','C20H27O2'); -INSERT INTO "substance" VALUES(244,'Retinoyl glucuronide','C26H35O8'); -INSERT INTO "substance" VALUES(245,'Ribitol','C5H12O5'); -INSERT INTO "substance" VALUES(246,'Riboflavin','C17H20N4O6'); -INSERT INTO "substance" VALUES(247,'Sarcosine','C3H7NO2'); -INSERT INTO "substance" VALUES(248,'Selenite [SeO3 (2-)]','O3Se'); -INSERT INTO "substance" VALUES(250,'Serotonin','C10H12N2O'); -INSERT INTO "substance" VALUES(251,'Sodium(I) cation [Na(+)]','Na'); -INSERT INTO "substance" VALUES(252,'Spermidine','C7H19N3'); -INSERT INTO "substance" VALUES(253,'Spermine','C10H26N4'); -INSERT INTO "substance" VALUES(254,'Sphinganine 1-phosphate','C18H39NO5P'); -INSERT INTO "substance" VALUES(255,'Sphingosine 1-phosphate','C18H37NO5P'); -INSERT INTO "substance" VALUES(256,'Succinate [Succinic acid]','C4H2D4O4'); -INSERT INTO "substance" VALUES(257,'Sucrose','C12H22O11'); -INSERT INTO "substance" VALUES(258,'Sulfate [SO4(2-)]','O4S'); -INSERT INTO "substance" VALUES(259,'Sulfite','HO3S'); -INSERT INTO "substance" VALUES(260,'Sulfoglycolithocholate','C26H41NO7S'); -INSERT INTO "substance" VALUES(261,'Taurine','C2H7NO3S'); -INSERT INTO "substance" VALUES(262,'Taurochenodeoxycholate [Taurochenodesoxycholic acid]','C26H45NO6S'); -INSERT INTO "substance" VALUES(263,'Taurocholic acid','C26H45NO7S'); -INSERT INTO "substance" VALUES(264,'Taurodeoxycholate [Taurodeoxycholic acid]','C26H44NO6S'); -INSERT INTO "substance" VALUES(265,'Taurolithocholate [Lithocholyltaurine]','C26H44NO5S'); -INSERT INTO "substance" VALUES(266,'Testosterone','C19H28O2'); -INSERT INTO "substance" VALUES(267,'Tetracosanoate [Lignocerate]','C24H47O2'); -INSERT INTO "substance" VALUES(268,'Tetradecanoate','C14H27O2'); -INSERT INTO "substance" VALUES(269,'Tetraoxidomolybdate(VI) [Molybdate]','MoO4'); -INSERT INTO "substance" VALUES(270,'Thiamine','C12H17N4OS'); -INSERT INTO "substance" VALUES(271,'Thiocyanate','CNS'); -INSERT INTO "substance" VALUES(272,'Thiosulfate','O3S2'); -INSERT INTO "substance" VALUES(273,'Thromboxane-b2 [Thromboxane B2]','C20H34O6'); -INSERT INTO "substance" VALUES(274,'Thymidine','C10H14N2O5'); -INSERT INTO "substance" VALUES(275,'Tungstate','O4W'); -INSERT INTO "substance" VALUES(276,'UDP [Uridine diphosphate]','C9H14N2O12P2'); -INSERT INTO "substance" VALUES(277,'UDPglucose [Uridine diphosphate glucose]','C15H24N2O17P2'); -INSERT INTO "substance" VALUES(278,'Ubiquinone-10','C59H90O4'); -INSERT INTO "substance" VALUES(279,'Uracil','C4H4N2O2'); -INSERT INTO "substance" VALUES(280,'Urate','C5H3N4O3'); -INSERT INTO "substance" VALUES(281,'Urea','CH4N2O'); -INSERT INTO "substance" VALUES(282,'Uridine','C9H12N2O6'); -INSERT INTO "substance" VALUES(283,'Ursodeoxycholate [Ursodeoxycholic acid]','C24H39O4'); -INSERT INTO "substance" VALUES(284,'Valeric acid','C5H10O2'); -INSERT INTO "substance" VALUES(285,'Vitamin B12',NULL); -INSERT INTO "substance" VALUES(286,'Water [H2O]','H2O'); -INSERT INTO "substance" VALUES(287,'Xanthurenic acid','C10H7NO4'); -INSERT INTO "substance" VALUES(288,'Xylitol [D-Xylitol]','C5H12O5'); -INSERT INTO "substance" VALUES(289,'Zinc(II) cation [Zn(2+)]','Zn'); -INSERT INTO "substance" VALUES(290,'all-cis-5,8,11,14,17-Icosapentaenoate','C20H29O2'); -INSERT INTO "substance" VALUES(291,'all-cis-8,11,14,17-Icosatetraenoic acid [ETA]','C20H32O2'); -INSERT INTO "substance" VALUES(292,'all-cis-Icosa-8,11,14-trienoic acid [Dihomo-gamma-linolenic acid]','C20H34O2'); -INSERT INTO "substance" VALUES(293,'all-cis-Octadeca-6,9,12,15-tetraenoic acid [Stearidonic acid]','C18H33O2'); -INSERT INTO "substance" VALUES(294,'all-trans-Retinal [Retinal]','C20H28O'); -INSERT INTO "substance" VALUES(295,'all-trans-Retinol [Vitamin A]','C20H30O'); -INSERT INTO "substance" VALUES(296,'alpha-Linolenate','C18H29O2'); -INSERT INTO "substance" VALUES(297,'alpha-Tocopherol','C29H50O2'); -INSERT INTO "substance" VALUES(298,'alpha-Tocotrienol','C29H44O2'); -INSERT INTO "substance" VALUES(299,'beta-Alanine','C3H7NO2'); -INSERT INTO "substance" VALUES(300,'beta-Carotene [b-Carotene]','C40H56'); -INSERT INTO "substance" VALUES(301,'beta-Tocopherol','C28H48O2'); -INSERT INTO "substance" VALUES(302,'gamma-Linolenate','C18H29O2'); -INSERT INTO "substance" VALUES(303,'trans-4-Hydroxy-L-proline','C5H9NO3'); -INSERT INTO "substance" VALUES(304,'trans-Vaccenic acid','C18H34O2'); -INSERT INTO "substance" VALUES(305,'L-Cysteate','C3H6NO5S'); -INSERT INTO "substance" VALUES(306,'Hydroxide','HO'); -INSERT INTO "substance" VALUES(307,'Dihydrogen [H2]','H2'); -INSERT INTO "substance" VALUES(308,'Aluminium(III) cation [Al(3+)]','Al'); -INSERT INTO "substance" VALUES(309,'Squalene','C30H50'); -INSERT INTO "substance" VALUES(310,'Cholesteryl oleate','C45H78O2'); -INSERT INTO "substance" VALUES(311,'Hexadecyl palmitate','C32H64O2'); -INSERT INTO "substance" VALUES(312,'(11Z)-icos-11-enoate [Gondoate]','C20H37O2'); -INSERT INTO "substance" VALUES(314,'L-Selenomethionine','C5H11NO2Se'); -INSERT INTO "substance" VALUES(315,'gamma-Glutamyl-Se-methylselenocysteine','C9H16N2O5Se'); -INSERT INTO "substance" VALUES(316,'L-Adenosylselenohomocysteine','C14H20N6O5Se'); -INSERT INTO "substance" VALUES(317,'Superoxide [O2(-)]','O2'); -INSERT INTO "substance" VALUES(318,'CTP [Cytidine triphosphate]','C9H16N3O14P3'); -INSERT INTO "substance" VALUES(319,'UTP [Uridine triphosphate]','C9H15N2O15P3'); -INSERT INTO "substance" VALUES(320,'ITP [Inosine triphosphate]','C10H15N4O14P3'); -INSERT INTO "substance" VALUES(321,'IDP [Inosine diphosphate]','C10H14N4O11P2'); -INSERT INTO "substance" VALUES(322,'NADH [reduced Nicotinamide adenine dinucleotide]','C21H29N7O14P2'); -INSERT INTO "substance" VALUES(323,'NADPH [reduced Nicotinamide adenine dinucleotide phosphate]','C21H30N7O17P3'); -INSERT INTO "substance" VALUES(324,'FADH2 [reduced Flavin adenine dinucleotide]','C27H35N9O15P2'); -INSERT INTO "substance" VALUES(325,'FMNH2 [reduced Flavin mononucleotide]','C17H23N4O9P'); -INSERT INTO "substance" VALUES(326,'Ubiquinone-8','C49H74O4'); -INSERT INTO "substance" VALUES(327,'Ubiquinol-8','C49H76O4'); -INSERT INTO "substance" VALUES(328,'Menaquinone-8','C51H72O2'); -INSERT INTO "substance" VALUES(329,'Menaquinol-8','C51H74O2'); -INSERT INTO "substance" VALUES(330,'2-Demethylmenaquinol-8','C50H72O2'); -INSERT INTO "substance" VALUES(331,'2-Demethylmenaquinone-8','C50H70O2'); -INSERT INTO "substance" VALUES(332,'Acetyl-CoA','C23H38N7O17P3S'); -INSERT INTO "substance" VALUES(334,'Coenzyme A','C21H36N7O16P3S'); - - -CREATE TABLE IF NOT EXISTS substance2db ( - substance_id INTEGER, - db_id TEXT NOT NULL, - db_type TEXT NOT NULL, - FOREIGN KEY(substance_id) REFERENCES substance(id), - PRIMARY KEY(substance_id, db_id) -); -INSERT INTO "substance2db" VALUES(1,'doco13ac','BiGG'); -INSERT INTO "substance2db" VALUES(2,'nrvnc','BiGG'); -INSERT INTO "substance2db" VALUES(2,'MNXM91251','MetaNetX'); -INSERT INTO "substance2db" VALUES(3,'aprgstrn','BiGG'); -INSERT INTO "substance2db" VALUES(3,'MNXM163756','MetaNetX'); -INSERT INTO "substance2db" VALUES(4,'fum','BiGG'); -INSERT INTO "substance2db" VALUES(5,'limnen','BiGG'); -INSERT INTO "substance2db" VALUES(6,'crvnc','BiGG'); -INSERT INTO "substance2db" VALUES(6,'MNXM7161','MetaNetX'); -INSERT INTO "substance2db" VALUES(7,'adrn','BiGG'); -INSERT INTO "substance2db" VALUES(7,'MNXM40344','MetaNetX'); -INSERT INTO "substance2db" VALUES(8,'bhb','BiGG'); -INSERT INTO "substance2db" VALUES(9,'3mop','BiGG'); -INSERT INTO "substance2db" VALUES(10,'1mncam','BiGG'); -INSERT INTO "substance2db" VALUES(11,'3mlda','BiGG'); -INSERT INTO "substance2db" VALUES(11,'MNXM91418','MetaNetX'); -INSERT INTO "substance2db" VALUES(12,'2hb','BiGG'); -INSERT INTO "substance2db" VALUES(14,'23cgmp','BiGG'); -INSERT INTO "substance2db" VALUES(13,'cpd25442','SEED'); -INSERT INTO "substance2db" VALUES(13,'MNXM34308','MetaNetX'); -INSERT INTO "substance2db" VALUES(15,'2mcit','BiGG'); -INSERT INTO "substance2db" VALUES(16,'cit','BiGG'); -INSERT INTO "substance2db" VALUES(17,'akg','BiGG'); -INSERT INTO "substance2db" VALUES(18,'25hvitd2','BiGG'); -INSERT INTO "substance2db" VALUES(18,'MNXM4976','MetaNetX'); -INSERT INTO "substance2db" VALUES(19,'34dhbz','BiGG'); -INSERT INTO "substance2db" VALUES(20,'34dhoxpeg','BiGG'); -INSERT INTO "substance2db" VALUES(21,'35cgmp','BiGG'); -INSERT INTO "substance2db" VALUES(22,'34hpp','BiGG'); -INSERT INTO "substance2db" VALUES(23,'3hexdcrn','BiGG'); -INSERT INTO "substance2db" VALUES(24,'3mob','BiGG'); -INSERT INTO "substance2db" VALUES(25,'pnto__R','BiGG'); -INSERT INTO "substance2db" VALUES(270,'thm','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(26,'pydxn','BiGG'); -INSERT INTO "substance2db" VALUES(27,'pydam','BiGG'); -INSERT INTO "substance2db" VALUES(28,'4abz','BiGG'); -INSERT INTO "substance2db" VALUES(29,'4abut','BiGG'); -INSERT INTO "substance2db" VALUES(30,'pydx','BiGG'); -INSERT INTO "substance2db" VALUES(31,'4hdebrisoquine','BiGG'); -INSERT INTO "substance2db" VALUES(31,'MNXM10135','MetaNetX'); -INSERT INTO "substance2db" VALUES(32,'4hphac','BiGG'); -INSERT INTO "substance2db" VALUES(33,'4mop','BiGG'); -INSERT INTO "substance2db" VALUES(34,'4pyrdx','BiGG'); -INSERT INTO "substance2db" VALUES(34,'MNXM163205','MetaNetX'); -INSERT INTO "substance2db" VALUES(35,'thf','BiGG'); -INSERT INTO "substance2db" VALUES(36,'lipoate','BiGG'); -INSERT INTO "substance2db" VALUES(36,'lipt','BiGG'); -INSERT INTO "substance2db" VALUES(37,'amp','BiGG'); -INSERT INTO "substance2db" VALUES(38,'5fothf','BiGG'); -INSERT INTO "substance2db" VALUES(38,'5fthf','BiGG'); -INSERT INTO "substance2db" VALUES(39,'gmp','BiGG'); -INSERT INTO "substance2db" VALUES(40,'5htrp','BiGG'); -INSERT INTO "substance2db" VALUES(40,'MNXM162909','MetaNetX'); -INSERT INTO "substance2db" VALUES(41,'5mthf','BiGG'); -INSERT INTO "substance2db" VALUES(42,'5oxpro','BiGG'); -INSERT INTO "substance2db" VALUES(43,'prpp','BiGG'); -INSERT INTO "substance2db" VALUES(44,'ump','BiGG'); -INSERT INTO "substance2db" VALUES(45,'5adtststerone','BiGG'); -INSERT INTO "substance2db" VALUES(45,'MNXM162520','MetaNetX'); -INSERT INTO "substance2db" VALUES(46,'dhf','BiGG'); -INSERT INTO "substance2db" VALUES(47,'retinol_9_cis','BiGG'); -INSERT INTO "substance2db" VALUES(47,'MNXM162711','MetaNetX'); -INSERT INTO "substance2db" VALUES(48,'adp','BiGG'); -INSERT INTO "substance2db" VALUES(49,'atp','BiGG'); -INSERT INTO "substance2db" VALUES(50,'acald','BiGG'); -INSERT INTO "substance2db" VALUES(51,'ac','BiGG'); -INSERT INTO "substance2db" VALUES(52,'acac','BiGG'); -INSERT INTO "substance2db" VALUES(53,'acetone','BiGG'); -INSERT INTO "substance2db" VALUES(54,'ade','BiGG'); -INSERT INTO "substance2db" VALUES(55,'adn','BiGG'); -INSERT INTO "substance2db" VALUES(56,'nh3','BiGG'); -INSERT INTO "substance2db" VALUES(56,'nh4','BiGG'); -INSERT INTO "substance2db" VALUES(57,'andrstrn','BiGG'); -INSERT INTO "substance2db" VALUES(57,'MNXM162746','MetaNetX'); -INSERT INTO "substance2db" VALUES(58,'andrstrnglc','BiGG'); -INSERT INTO "substance2db" VALUES(58,'MNXM7068','MetaNetX'); -INSERT INTO "substance2db" VALUES(59,'anth','BiGG'); -INSERT INTO "substance2db" VALUES(60,'arach','BiGG'); -INSERT INTO "substance2db" VALUES(61,'arachd','BiGG'); -INSERT INTO "substance2db" VALUES(61,'MNXM162250','MetaNetX'); -INSERT INTO "substance2db" VALUES(62,'aso3','BiGG'); -INSERT INTO "substance2db" VALUES(63,'docosac','BiGG'); -INSERT INTO "substance2db" VALUES(63,'MNXM162817','MetaNetX'); -INSERT INTO "substance2db" VALUES(64,'bz','BiGG'); -INSERT INTO "substance2db" VALUES(65,'bilirub','BiGG'); -INSERT INTO "substance2db" VALUES(66,'btn','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(67,'but','BiGG'); -INSERT INTO "substance2db" VALUES(67,'MNXM162281','MetaNetX'); -INSERT INTO "substance2db" VALUES(68,'c4crn','BiGG'); -INSERT INTO "substance2db" VALUES(69,'camp','BiGG'); -INSERT INTO "substance2db" VALUES(70,'cdp','BiGG'); -INSERT INTO "substance2db" VALUES(71,'cmp','BiGG'); -INSERT INTO "substance2db" VALUES(72,'cd2','BiGG'); -INSERT INTO "substance2db" VALUES(73,'25hvitd3','BiGG'); -INSERT INTO "substance2db" VALUES(73,'MNXM162388','MetaNetX'); -INSERT INTO "substance2db" VALUES(74,'vitd3','BiGG'); -INSERT INTO "substance2db" VALUES(74,'MNXM162562','MetaNetX'); -INSERT INTO "substance2db" VALUES(75,'ca2','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(76,'co2','BiGG'); -INSERT INTO "substance2db" VALUES(77,'co','BiGG'); -INSERT INTO "substance2db" VALUES(78,'hco3','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(79,'cellb','BiGG'); -INSERT INTO "substance2db" VALUES(80,'C02528','BiGG'); -INSERT INTO "substance2db" VALUES(81,'cl','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(82,'cholate','BiGG'); -INSERT INTO "substance2db" VALUES(83,'chol','BiGG'); -INSERT INTO "substance2db" VALUES(84,'chor','BiGG'); -INSERT INTO "substance2db" VALUES(85,'cro4','BiGG'); -INSERT INTO "substance2db" VALUES(86,'chsterol','BiGG'); -INSERT INTO "substance2db" VALUES(87,'cbl1','BiGG'); -INSERT INTO "substance2db" VALUES(88,'cbl2','BiGG'); -INSERT INTO "substance2db" VALUES(89,'cobalt2','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(90,'cu2','BiGG'); -INSERT INTO "substance2db" VALUES(91,'crtstrn','BiGG'); -INSERT INTO "substance2db" VALUES(91,'MNXM162953','MetaNetX'); -INSERT INTO "substance2db" VALUES(92,'crtsl','BiGG'); -INSERT INTO "substance2db" VALUES(92,'MNXM162531','MetaNetX'); -INSERT INTO "substance2db" VALUES(93,'creat','BiGG'); -INSERT INTO "substance2db" VALUES(94,'crtn','BiGG'); -INSERT INTO "substance2db" VALUES(94,'MNXM163786','MetaNetX'); -INSERT INTO "substance2db" VALUES(95,'cynt','BiGG'); -INSERT INTO "substance2db" VALUES(96,'cgly','BiGG'); -INSERT INTO "substance2db" VALUES(97,'cytd','BiGG'); -INSERT INTO "substance2db" VALUES(98,'csn','BiGG'); -INSERT INTO "substance2db" VALUES(99,'ala__D','BiGG'); -INSERT INTO "substance2db" VALUES(100,'fru','BiGG'); -INSERT INTO "substance2db" VALUES(101,'gal','BiGG'); -INSERT INTO "substance2db" VALUES(102,'glc__bD','BiGG'); -INSERT INTO "substance2db" VALUES(102,'glc__D','BiGG'); -INSERT INTO "substance2db" VALUES(103,'lac__D','BiGG'); -INSERT INTO "substance2db" VALUES(104,'man','BiGG'); -INSERT INTO "substance2db" VALUES(105,'orn__D','BiGG'); -INSERT INTO "substance2db" VALUES(106,'rib__D','BiGG'); -INSERT INTO "substance2db" VALUES(107,'ser__D','BiGG'); -INSERT INTO "substance2db" VALUES(108,'sbt__D','BiGG'); -INSERT INTO "substance2db" VALUES(109,'xyl__D','BiGG'); -INSERT INTO "substance2db" VALUES(110,'debrisoquine','BiGG'); -INSERT INTO "substance2db" VALUES(111,'dca','BiGG'); -INSERT INTO "substance2db" VALUES(111,'MNXM162295','MetaNetX'); -INSERT INTO "substance2db" VALUES(112,'c10crn','BiGG'); -INSERT INTO "substance2db" VALUES(113,'dhdascb','BiGG'); -INSERT INTO "substance2db" VALUES(114,'dheas','BiGG'); -INSERT INTO "substance2db" VALUES(115,'dad_2','BiGG'); -INSERT INTO "substance2db" VALUES(116,'dchac','BiGG'); -INSERT INTO "substance2db" VALUES(117,'dcyt','BiGG'); -INSERT INTO "substance2db" VALUES(118,'duri','BiGG'); -INSERT INTO "substance2db" VALUES(119,'dhap','BiGG'); -INSERT INTO "substance2db" VALUES(120,'o2','BiGG'); -INSERT INTO "substance2db" VALUES(121,'ppi','BiGG'); -INSERT INTO "substance2db" VALUES(122,'ddca','BiGG'); -INSERT INTO "substance2db" VALUES(122,'MNXM162258','MetaNetX'); -INSERT INTO "substance2db" VALUES(123,'dopasf','BiGG'); -INSERT INTO "substance2db" VALUES(123,'MNXM163796','MetaNetX'); -INSERT INTO "substance2db" VALUES(124,'vitd2','BiGG'); -INSERT INTO "substance2db" VALUES(124,'MNXM163604','MetaNetX'); -INSERT INTO "substance2db" VALUES(125,'estrones','BiGG'); -INSERT INTO "substance2db" VALUES(125,'MNXM162533','MetaNetX'); -INSERT INTO "substance2db" VALUES(126,'etoh','BiGG'); -INSERT INTO "substance2db" VALUES(127,'fmn','BiGG'); -INSERT INTO "substance2db" VALUES(128,'fad','BiGG'); -INSERT INTO "substance2db" VALUES(129,'fald','BiGG'); -INSERT INTO "substance2db" VALUES(130,'for','BiGG'); -INSERT INTO "substance2db" VALUES(131,'gdp','BiGG'); -INSERT INTO "substance2db" VALUES(132,'gtp','BiGG'); -INSERT INTO "substance2db" VALUES(133,'gbside_hs','BiGG'); -INSERT INTO "substance2db" VALUES(133,'MNXM4598','MetaNetX'); -INSERT INTO "substance2db" VALUES(134,'gam','BiGG'); -INSERT INTO "substance2db" VALUES(135,'glcur','BiGG'); -INSERT INTO "substance2db" VALUES(136,'glyc','BiGG'); -INSERT INTO "substance2db" VALUES(137,'glyc3p','BiGG'); -INSERT INTO "substance2db" VALUES(138,'gly','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(139,'glyb','BiGG'); -INSERT INTO "substance2db" VALUES(140,'dgchol','BiGG'); -INSERT INTO "substance2db" VALUES(140,'MNXM8391','MetaNetX'); -INSERT INTO "substance2db" VALUES(141,'gchola','BiGG'); -INSERT INTO "substance2db" VALUES(141,'MNXM162346','MetaNetX'); -INSERT INTO "substance2db" VALUES(142,'HC02193','BiGG'); -INSERT INTO "substance2db" VALUES(143,'HC02196','BiGG'); -INSERT INTO "substance2db" VALUES(144,'gsn','BiGG'); -INSERT INTO "substance2db" VALUES(145,'hemeD','BiGG'); -INSERT INTO "substance2db" VALUES(145,'MNXM167899','MetaNetX'); -INSERT INTO "substance2db" VALUES(146,'hexc','BiGG'); -INSERT INTO "substance2db" VALUES(146,'MNXM1833','MetaNetX'); -INSERT INTO "substance2db" VALUES(147,'hdca','BiGG'); -INSERT INTO "substance2db" VALUES(148,'hdcea','BiGG'); -INSERT INTO "substance2db" VALUES(148,'MNXM950','MetaNetX'); -INSERT INTO "substance2db" VALUES(149,'ha','BiGG'); -INSERT INTO "substance2db" VALUES(149,'C00518','KEGG'); -INSERT INTO "substance2db" VALUES(149,'MNXM18575','MetaNetX'); -INSERT INTO "substance2db" VALUES(149,'cpd23482','SEED'); -INSERT INTO "substance2db" VALUES(150,'h','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(151,'h2o2','BiGG'); -INSERT INTO "substance2db" VALUES(152,'h2s','BiGG'); -INSERT INTO "substance2db" VALUES(153,'hxan','BiGG'); -INSERT INTO "substance2db" VALUES(154,'imp','BiGG'); -INSERT INTO "substance2db" VALUES(155,'ins','BiGG'); -INSERT INTO "substance2db" VALUES(156,'fe2','BiGG'); -INSERT INTO "substance2db" VALUES(157,'fe3','BiGG'); -INSERT INTO "substance2db" VALUES(158,'ibt','BiGG'); -INSERT INTO "substance2db" VALUES(158,'isobuta','BiGG'); -INSERT INTO "substance2db" VALUES(159,'ival','BiGG'); -INSERT INTO "substance2db" VALUES(160,'ivcrn','BiGG'); -INSERT INTO "substance2db" VALUES(161,'abt','BiGG'); -INSERT INTO "substance2db" VALUES(161,'abt__L','BiGG'); -INSERT INTO "substance2db" VALUES(162,'cysi__L','BiGG'); -INSERT INTO "substance2db" VALUES(163,'3aib','BiGG'); -INSERT INTO "substance2db" VALUES(164,'ala__L','BiGG'); -INSERT INTO "substance2db" VALUES(165,'arab__L','BiGG'); -INSERT INTO "substance2db" VALUES(166,'arg__L','BiGG'); -INSERT INTO "substance2db" VALUES(167,'ascb__L','BiGG'); -INSERT INTO "substance2db" VALUES(168,'asn__L','BiGG'); -INSERT INTO "substance2db" VALUES(169,'asp__L','BiGG'); -INSERT INTO "substance2db" VALUES(170,'crn','BiGG'); -INSERT INTO "substance2db" VALUES(171,'carn','BiGG'); -INSERT INTO "substance2db" VALUES(171,'MNXM114412','MetaNetX'); -INSERT INTO "substance2db" VALUES(171,'cpd15836','SEED'); -INSERT INTO "substance2db" VALUES(172,'citr__L','BiGG'); -INSERT INTO "substance2db" VALUES(173,'cys__L','BiGG'); -INSERT INTO "substance2db" VALUES(174,'34dhphe','BiGG'); -INSERT INTO "substance2db" VALUES(174,'MNXM162631','MetaNetX'); -INSERT INTO "substance2db" VALUES(175,'glu__L','BiGG'); -INSERT INTO "substance2db" VALUES(176,'gln__L','BiGG'); -INSERT INTO "substance2db" VALUES(177,'glyc__S','BiGG'); -INSERT INTO "substance2db" VALUES(177,'MNXM147340','MetaNetX'); -INSERT INTO "substance2db" VALUES(178,'his__L','BiGG'); -INSERT INTO "substance2db" VALUES(179,'hom__L','BiGG'); -INSERT INTO "substance2db" VALUES(180,'ile__L','BiGG'); -INSERT INTO "substance2db" VALUES(181,'lac__L','BiGG'); -INSERT INTO "substance2db" VALUES(182,'leu__L','BiGG'); -INSERT INTO "substance2db" VALUES(183,'lys__L','BiGG'); -INSERT INTO "substance2db" VALUES(184,'mal__L','BiGG'); -INSERT INTO "substance2db" VALUES(185,'mepi','BiGG'); -INSERT INTO "substance2db" VALUES(185,'MNXM91238','MetaNetX'); -INSERT INTO "substance2db" VALUES(186,'met__L','BiGG'); -INSERT INTO "substance2db" VALUES(187,'orn__L','BiGG'); -INSERT INTO "substance2db" VALUES(188,'phe__L','BiGG'); -INSERT INTO "substance2db" VALUES(189,'pro__L','BiGG'); -INSERT INTO "substance2db" VALUES(190,'ser__L','BiGG'); -INSERT INTO "substance2db" VALUES(191,'sbt__L','BiGG'); -INSERT INTO "substance2db" VALUES(192,'thr__L','BiGG'); -INSERT INTO "substance2db" VALUES(193,'thyox__L','BiGG'); -INSERT INTO "substance2db" VALUES(193,'MNXM162591','MetaNetX'); -INSERT INTO "substance2db" VALUES(194,'trp__L','BiGG'); -INSERT INTO "substance2db" VALUES(195,'tyr__L','BiGG'); -INSERT INTO "substance2db" VALUES(196,'val__L','BiGG'); -INSERT INTO "substance2db" VALUES(197,'gthrd','BiGG'); -INSERT INTO "substance2db" VALUES(198,'pb2','BiGG'); -INSERT INTO "substance2db" VALUES(198,'pb','BiGG'); -INSERT INTO "substance2db" VALUES(199,'lnlc','BiGG'); -INSERT INTO "substance2db" VALUES(200,'HC02191','BiGG'); -INSERT INTO "substance2db" VALUES(201,'mg2','BiGG+VMH'); -INSERT INTO "substance2db" VALUES(202,'male','BiGG'); 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